PDB_CCD_ID,LIGAND_SMILES,PROTEIN_SEQUENCE,PROTEIN_PDB_PATH,LIGAND_SDF_PATH
8RZH_A1H38,O[C@@H]1[C@@H]2OC[C@H]1NC[C@@H]2O,MGSSHHHHHHGSLDSPDPIVLENGKLNINIDSKTGCFSVTEKTSGHVWKSDPWENAAGLLTLTDSKGKKQTVNISKSKKIEVSKTAKNTVSLKFIDPVFEDGSVAKGVSIATELRLDPNNAQLDVEVTEHRSGNFTLYDLRYPARAFSLKTDEDKGAAVIPQKQGVICPSYIFPMNGGRFCKWDDATYNNKSQGSLELFNNGTGLTMPWWGTYNEKSAVMGIVDVSARPHMQYNINNNGQYLFNAKGVMSPYQRIVFLDPIWKLDQEKGKMRISYHFIPGGDYVDMAKVYQKEAKARGHFVSLQEKLKRNPNVNKLPGAIYFGIYGGYPHYVNMPGMAFTFDELKNIIKTIHDDLRVDKAFVHAWGTFSNFVPHNYPISEALGGPEKLKAAVDLAKSYGYLYSSYHAYSPMLENDPNFTTDLMQRDAEGKLMNTGSRWARVDPKFQKGLAQKNIEKEISYLGLEADITDITFAAYRENGKEGRIELAKYIDSFNLVNGTEHGQEQWIPYFDMFEGMTYLEDRPLSVISHPAPLFNLVYHEAIANFGKIQDPDNEVTANGDFRIKALRSMLFGRGTTIFFAPYEFEGMRPMIEMARDLVSPVHKETFYSELKSHEYLSADYKVQRSRFSSGTEVIANLGPVAQKIEGGISIPGYGYRIQMKDGSLKTGHFQVSLHMD,posex_set/posex_self_docking_set/8RZH_A1H38/8RZH_A1H38_protein.pdb,posex_set/posex_self_docking_set/8RZH_A1H38/8RZH_A1H38_ligand_start_conf.sdf
7XVU_G39,CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O,GSLVPRGSPSRSEFTEWRFPKSTCPGRSLQKMLQLNPHRHATAGSQAATIPNREPFISCSQDECRLFTLDHDVSTPGAYDGITWEDRSKRRRLVSFPLGSELTLDNMKVHLSGWSGTACHDGKEWTYATVNGPDNSAVMRLKYGDQIRGSFPSYANNILRTQESECVCIDGKCYIIVIDGPAGGTATPKVLVTREGEVTSEIIVTGRNKMGEECSCLATNRTWIECLCRDNAFSAKRPIIRIDTVAGTARGYLMCSDTYLDTPRPADGSITGSCETDGTSGGGGVKGAFALSRTTEATTERFYVRTVSSSARSGAVFYKTTDDPTESNNPLTLIGTAVGGAIPMWYSFSFEIPGKVCDQTCIGLEMGLTMGHQLWTSNSVAVYCVIGDNLDWDSTTDVVPADIV,posex_set/posex_self_docking_set/7XVU_G39/7XVU_G39_protein.pdb,posex_set/posex_self_docking_set/7XVU_G39/7XVU_G39_ligand_start_conf.sdf
7LZK_5JC,Oc1ccc(Cl)cc1Cl,GFKQDIATLRGDLRTYAQDIFLAFLNKYPDEKRNFKNYVGKSDQELKSMAKFGDHTEKVFNLMMEVADRATDCVPLASDASTLVQMKQHSGLTTGNFEKLFVALVEYMRASGQSFDSQSWDRFGKNLVSALSSAGMK,posex_set/posex_self_docking_set/7LZK_5JC/7LZK_5JC_protein.pdb,posex_set/posex_self_docking_set/7LZK_5JC/7LZK_5JC_ligand_start_conf.sdf
8P7H_X3B,C=C1OCCC(O)(O)O1,GDRINTVRGPITISEAGFTLTHEHICGSSAGFLRAWPEFFGSRAALVEKAVRGLRRARAAGVRTIVDVSTFDAGRDVSLLAEVSRAADVHIVAATGLWEDPPLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATQGKATPFQELVLRAAARASLATGVPVTTHTFASQRDGEQQAAIFESEGLSPSRVCIGHSDDTDDLSYLTALAARGYLIGLDGIPHSAIGLEDNASASALLGNRSWQTRALLIKALIDQGYMKQILVSNDWLFGFSSYVTNIMDVMDSVNPDGMAFIPLRVIPFLREKGVPQETLAGITVTNPARFLSPTL,posex_set/posex_self_docking_set/8P7H_X3B/8P7H_X3B_protein.pdb,posex_set/posex_self_docking_set/8P7H_X3B/8P7H_X3B_ligand_start_conf.sdf
7V3R_5IE,O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c(F)c2)CC1,MGSSHHHHHHGDSDISSPLLQNTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARDMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIG,posex_set/posex_self_docking_set/7V3R_5IE/7V3R_5IE_protein.pdb,posex_set/posex_self_docking_set/7V3R_5IE/7V3R_5IE_ligand_start_conf.sdf
8GD2_Z5H,Cc1ccc(C2(c3noc(CN(C)Cc4cccs4)n3)CCCC2)cc1,MPVDFTGYWKMLVNENFEEYLRALDVNVALRKIANLLKPDKEIVQDGDHMIIRTLSTFRNYIMDFQVGKEFEEDLTGIDDRKCMTTVSWDGDKLQCVQKGEKEGRGWTQWIEGDELHLEMRVEGVVCKQVFKKVQHHHHHH,posex_set/posex_self_docking_set/8GD2_Z5H/8GD2_Z5H_protein.pdb,posex_set/posex_self_docking_set/8GD2_Z5H/8GD2_Z5H_ligand_start_conf.sdf
8EVX_DS0,N[C@@H]1CON=C1OP(=O)(O)O,SMGQDKLKVAVLFGGSSEERDVSIASGAQVIQALRSAGHQVLAVDTASGLLGAEEERRLLASKVKEVPPDSDSLAIIRSGKQSLLSAGELAGVDVFFLALHGGTGEDGTLQALLDAGGFAYTGSGHLASAMAMDKDVAKRLFLAAGVETASWLMAPASEEEVREQLGFPLVVKPNSQGSTVGLSIVHSQAELQPAIELAGRYGDEVMLERFVAGREVTVGVLDDQALPVGEILLGGQEVFDYEHKYQAGAVREVFPADLPPAIAAEAQRLALKVHRALKLSGYSRTDFRLDEQGRLWCLEVNTLPGMTATSLLPQAAAAAGIGFAELCERICRLGIERCKGARKARS,posex_set/posex_self_docking_set/8EVX_DS0/8EVX_DS0_protein.pdb,posex_set/posex_self_docking_set/8EVX_DS0/8EVX_DS0_ligand_start_conf.sdf
8CV9_HYO,CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2,MATLVSNWSTNNVSESFVAPLEKRAENDVPLGNDVPIIDLQQDHLVVVQQITKACQDFGLFQVINHGLPEKLMAETMDVCKEFFALPAEEKEKLQPKGEPAKFELPLEQKAKLYVEGEQLSDEAFLYWKDTLAHGCHPLDEELVNSWPEKPATYREVVAKYSVEVRKLTMRILDYICEGLGLKLGYFDNELSQIQMMLTNYYPPCPDPSSTLGSGGHYDGNLITLLQQNLPGLQQLIEDAKWIAVEPIPTAFVVNLGLTLKVITNEKFEGSIHRVVTNPTRDRVSIATLIGPDYSCTIEPAKELLSQDNPPLYKPYSYAEFGEIYLSDKSDYDAGVKPYKINAGGKGPGDGPGGSGGPRGGENLYFQSGHHHHHHHHGGRGGAAA,posex_set/posex_self_docking_set/8CV9_HYO/8CV9_HYO_protein.pdb,posex_set/posex_self_docking_set/8CV9_HYO/8CV9_HYO_ligand_start_conf.sdf
7W06_ITN,C=C(CC(=O)O)C(=O)O,MELRHIRYFLAVAEERHFTRAAARLGIGQPPLSQQIKDLERELGALLFRRVSYGAELTEAGIAFLDVVKEIPVMAERATQAAQRAVRGELGVLRVGFTASSAFNSVVPTAIRAFRRAYPDVRLQLEEDNTTRLADGLNEGSLDVAFLRPGFAGSERFHLRMLSEEPMMIVMAENHPAASYEEISLSAFRDETFLLFPREIGLTLYDSVIESCRTAGFEPTIGQLAPQIASVINLVAAEMGVSIVPASMSQVKVIGVVYRHIADQTPTAKLALAYRRGDTSPVLRNFVLTVFP,posex_set/posex_self_docking_set/7W06_ITN/7W06_ITN_protein.pdb,posex_set/posex_self_docking_set/7W06_ITN/7W06_ITN_ligand_start_conf.sdf
7XRL_FWK,CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,MRSKRFEALAKRPVNQDGFVKEWIEEGFIAMESPNDPKPSIKIVNGAVTELDGKPVSDFDLIDHFIARYGINLNRAEEVMAMDSVKLANMLCDPNVKRSEIVPLTTAMTPAKIVEVVSHMNVVEMMMAMQKMRARRTPSQQAHVTNVKDNPVQIAADAAEGAWRGFDEQETTVAVARYAPFNAIALLVGSQVGRPGVLTQCSLEEATELKLGMLGHTCYAETISVYGTEPVFTDGDDTPWSKGFLASSYASRGLKMRFTSGSGSEVQMGYAEGKSMLYLEARCIYITKAAGVQGLQNGSVSCIGVPSAVPSGIRAVLAENLICSSLDLECASSNDQTFTHSDMRRTARLLMQFLPGTDFISSGYSAVPNYDNMFAGSNEDAEDFDDYNVIQRDLKVDGGLRPVREEDVIAIRNKAARALQAVFAGMGLPPITDEEVEAATYAHGSKDMPERNIVEDIKFAQEIINKNRNGLEVVKALAQGGFTDVAQDMLNIQKAKLTGDYLHTSAIIVGDGQVLSAVNDVNDYAGPATGYRLQGERWEEIKNIPGALDPNEID|MSSHHHHHHSAALEVLFQGPGGFLTEVGEARQGTQQDEVIIAVGPAFGLAQTVNIVGIPHKSILREVIAGIEEEGIKARVIRCFKSSDVAFVAVEGNRLSGSGISIGIQSKGTTVIHQQGLPPLSNLELFPQAPLLTLETYRQIGKNAARYAKRESPQPVPTLNDQMARPKYQAKSAILHIKETKYVVTGKNPQELRVAL|MARVSDYPLANKHPEWVKTATNKTLDDFTLENVLSNKVTAQDMRITPETLRLQASIAKDAGRDRLAMNFERAAELTAVPDDRILEIYNALRPYRSTKEELLAIADDLESRYQAKICAAFVREAATLYVERKKLKGDD,posex_set/posex_self_docking_set/7XRL_FWK/7XRL_FWK_protein.pdb,posex_set/posex_self_docking_set/7XRL_FWK/7XRL_FWK_ligand_start_conf.sdf
9F53_K3A,CC(=O)Nc1cc(C)[nH]n1,GPMGSKSESPKEPEQLRKLFIGGLSFETTDESLRSHFEQWGTLTDCVVMRDPNTKRSRGFGFVTYATVEEVDAAMNARPHKVDGRVVEPKRAVSREDSQRPGAHLTVKKIFVGGIKEDTEEHHLRDYFEQYGKIEVIEIMTDRGSGKKRGFAFVTFDDHDSVDKIVIQKYHTVNGHNCEVRKALSKQEMASASSSQRG,posex_set/posex_self_docking_set/9F53_K3A/9F53_K3A_protein.pdb,posex_set/posex_self_docking_set/9F53_K3A/9F53_K3A_ligand_start_conf.sdf
8VCW_DTB,C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O,MNPLTLAQEIIDGRRITREDDLSFFLTCDLDELCEGADRIREACIGDKVDLCSIINGRSGRCPEDCKYCAQSAHHHTSCEVYNFLPEEKILEACKMNESEGVDRFSIVTAGKALTGKEFDQAIHAYETMHRECKIDLCASMGFISAEQLHRLHEAGVTSYHHNIETSRRNFPNICTTHTYDMKIETLKKVKAEGMCACSGGIIGMGETWEDRLDMAISLAELGIDSIPINALMPIPGTPLEHLPELSEPDILRTIAFFRYINPEANIRLAAGRALLTNDGETAFKAGASASITGNMLTTVACATIRSDRKMLADMGRDVTPEYWKEV,posex_set/posex_self_docking_set/8VCW_DTB/8VCW_DTB_protein.pdb,posex_set/posex_self_docking_set/8VCW_DTB/8VCW_DTB_ligand_start_conf.sdf
8H7N_WYW,CCOP(=S)(OCC)Oc1ncn(-c2ccccc2)n1,EVQLVESGGGLVQPGGSLRLSCVGSGRVRTINTAGWYRQAPGQEPEFLARITVGGTTSYADSVKGRFTISRDLAKSTVYLQMDYLKPEDTAVYYCNADFDFGSRTAWGQGTQVTVSSGQAGQHHHHHHGAYPYDVPDYAS,posex_set/posex_self_docking_set/8H7N_WYW/8H7N_WYW_protein.pdb,posex_set/posex_self_docking_set/8H7N_WYW/8H7N_WYW_ligand_start_conf.sdf
8I3P_OS0,O=C1NC=C[C@@H](O)N1,GMVTGGMASKWDQKGMDIAYEEAALGYKEGGVPIGGCLINNKDGSVLGRGHNMRFQKGSATLHGEISTLENCGRLEGKVYKDTTLYTTLSPCDMCTGAIIMYGIPRCVVGENVNFKSKGEKYLQTRGHEVVVVDDERCKKIMKQFIDERPQDWFEDIGERIELQKQQEEEAERLRRIQEEMEKERKRREEDEQRRRKE,posex_set/posex_self_docking_set/8I3P_OS0/8I3P_OS0_protein.pdb,posex_set/posex_self_docking_set/8I3P_OS0/8I3P_OS0_ligand_start_conf.sdf
8VKA_A1AB7,Cc1c(CCOc2cccnc2-c2ccnc(N3CCNCC3)c2)c(C(=O)NCC(=O)O)nn1C,GPDYKFWYTQPVPKINDEFNESVNEPFISDNKVEDVRKDEYKLPPGYSWYVCDVKDEKDRSEIYTLLTDNYVEDDDNIFRFNYSAEFLLWALTSPNYLKTWHIGVKYDASNKLIGFISAIPTDICIHKRTIKMAEVNFLCVHKTLRSKRLAPVLIKEITRRINLENIWQAIYTAGVYLPKPVSDARYYHRSINVKKLIEIGFSSLNSRLTMSRAIKLYRVEDTLNIKNMRLMKKKDVEGVHKLLGSYLEQFNLYAVFTKEEIAHWFLPIENVIYTYVNEENGKIKDMISFYSLPSQILGNDKYSTLNAAYSFYNVTTTATFKQLMQDAILLAKRNNFDVFNALEVMQNKSVFEDLKFGEGDGSLKYYLYNWKCASFAPAHVGIVLL,posex_set/posex_self_docking_set/8VKA_A1AB7/8VKA_A1AB7_protein.pdb,posex_set/posex_self_docking_set/8VKA_A1AB7/8VKA_A1AB7_ligand_start_conf.sdf
7EKD_J5X,C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,MPTPSHLKNPLCFDFRAARRVPETHAWPGLDDHPVVDGGGGGGEDAVPVVDVGAGDAAARVARAAEQWGAFLLVGHGVPAALLSRVEERVARVFSLPASEKMRAVRGPGEPCGYGSPPISSFFSKLMWSEGYTFSPSSLRSELRRLWPKSGDDYLLFCDVMEEFHKEMRRLADELLRLFLRALGLTGEEVAGVEAERRIGERMTATVHLNWYPRCPEPRRALGLIAHTDSGFFTFVLQSLVPGLQLFRRGPDRWVAVPAVAGAFVVNVGDLFHILTNGRFHSVYHRAVVNRDRDRVSLGYFLGPPPDAEVAPLPEAVPAGRSPAYRAVTWPEYMAVRKKAFATGGSALKMVSTDAAAAADEHDDVAAAADVHA,posex_set/posex_self_docking_set/7EKD_J5X/7EKD_J5X_protein.pdb,posex_set/posex_self_docking_set/7EKD_J5X/7EKD_J5X_ligand_start_conf.sdf
9F93_A1IAV,Nc1ccc(-c2ccc(F)cc2)cc1C(=O)O,MGSSHHHHHHSSGLVPRGSHMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL,posex_set/posex_self_docking_set/9F93_A1IAV/9F93_A1IAV_protein.pdb,posex_set/posex_self_docking_set/9F93_A1IAV/9F93_A1IAV_ligand_start_conf.sdf
8FAV_4Y5,O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)c(F)c1,SMPTPEAPYASLTEIEHLVQSVSKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELSQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLS,posex_set/posex_self_docking_set/8FAV_4Y5/8FAV_4Y5_protein.pdb,posex_set/posex_self_docking_set/8FAV_4Y5/8FAV_4Y5_ligand_start_conf.sdf
5SCM_GHU,CCOC(=O)CCc1ccccc1OCCCOc1c(N)nc(N)nc1CC,MGSSHHHHHHSSGLVPRGSHMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS,posex_set/posex_self_docking_set/5SCM_GHU/5SCM_GHU_protein.pdb,posex_set/posex_self_docking_set/5SCM_GHU/5SCM_GHU_ligand_start_conf.sdf
8UWN_XQX,O=C(C1CC1)N1CCN(c2ccnn3cc(-c4ccc(N5CCNCC5)cc4)cc23)CC1,MHHHHHHSSGVDLGTENLYFQSMHLICQSGDVLSARYEIVDTLGEGAFGKVVECIDHKAGGRHVAVKIVKNVDRYCEAARSEIQVLEHLNTTDPNSTFRCVQMLEWFEHHGHICIVFELLGLSTYDFIKENGFLPFRLDHIRKMAYQICKSVNFLHSNKLTHTDLKPENILFVQSDYTEAYNPKIKRDERTLINPDIKVVDFGSATYDDEHHSTLVSTRHYRAPEVILALGWSQPCDVWSIGCILIEYYLGFTVFPTHDSKEHLAMMERILGPLPKHMIQKTRKRKYFHHDRLDWDEHSSAGRYVSRACKPLKEFMLSQDVEHERLFDLIQKMLEYDPAKRITLREALKHPFFDLLKKSI,posex_set/posex_self_docking_set/8UWN_XQX/8UWN_XQX_protein.pdb,posex_set/posex_self_docking_set/8UWN_XQX/8UWN_XQX_ligand_start_conf.sdf
7ZQR_JK9,COc1ccc(-c2ccncc2)cc1,NGPSPNLPPGFDFTDPAIYAERLPVAEFAELRSAAPIWWNGQDPGKGGGFHDGGFWAITKLNDVKEISRHSDVFSSYENGVIPRFKNDIAREDIEVQRFVMLNMDAPHHTRLRKIISRGFTPRAVGRLHDELQERAQKIAAEAAAAGSGDFVEQVSCELPLQAIAGLLGVPQEDRGKLFHWSNEMTGNEDPEYAHIDPKASSAELIGYAMKMAEEKAKNPADDIVTQLIQADIDGEKLSDDEFGFFVVMLAVAGNETTRNSITQGMMAFAEHPDQWELYKKVRPETAADEIVRWATPVTAFQRTALRDYELSGVQIKKGQRVVMFYRSANFDEEVFQDPFTFNILRNPNPHVGFGGTGAHYCIGANLARMTINLIFNAVADHMPDLKPISAPERLRSGWLNGIKHWQVDYTGRCPVAH,posex_set/posex_self_docking_set/7ZQR_JK9/7ZQR_JK9_protein.pdb,posex_set/posex_self_docking_set/7ZQR_JK9/7ZQR_JK9_ligand_start_conf.sdf
7SV5_D2Y,CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H]3CO[C@](C)(C(=O)O)O[C@H]3[C@H](O)[C@@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O,VAFGADAAKTTQEKFDALKEAGVFSGYPGTTDAKLGQDMTRAEFAKVLVKLFGLKEIHGQYSYKDKNYDAKNWAAPFIEAVTAEGLMQAKDLTKKIFDFNGKITVEEASKTLVTALKLEPVKDAQNKATDWAKGYFEAAVNAGLFSKDANPKANATRAQLVEAAFAADEMSKGSGSHHHHHH,posex_set/posex_self_docking_set/7SV5_D2Y/7SV5_D2Y_protein.pdb,posex_set/posex_self_docking_set/7SV5_D2Y/7SV5_D2Y_ligand_start_conf.sdf
7X73_J26,Cc1c(C(=O)N[C@@H](CCC2CC2)C(=O)Nc2ccc(C#N)cc2)[nH]c2c1C(=O)CC(C)(C)C2,GSNRAIRTEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDRNITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIFECNQACSCWRNCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICEYVGELISDAEADVREDDSYLFDLDNKDGEVYCIDARYYGNISRFINHLCDPNIIPVRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFTCQCGSEKCKHSAEAIALEQSRLARLD,posex_set/posex_self_docking_set/7X73_J26/7X73_J26_protein.pdb,posex_set/posex_self_docking_set/7X73_J26/7X73_J26_ligand_start_conf.sdf
7UEU_AN2,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](N)(=O)O)[C@@H](O)[C@H]1O,MGSSHHHHHHSSGLVPRGSPWFGMDIGGTLVKLSYFEPIDITAEEEQEEVESLKSIRKYLTSNVAYGSTGIRDVHLELKDLTLFGRRGNLHFIRFPTQDLPTFIQMGRDKNFSTLQTVLCATGGGAYKFEKDFRTIGNLHLHKLDELDCLVKGLLYIDSVSFNGQAECYYFANASEPERCQKMPFNLDDPYPLLVVNIGSGVSILAVHSKDNYKRVTGTSLGGGTFLGLCSLLTGCESFEEALEMASKGDSTQADKLVRDIYGGDYERFGLPGWAVASSFGNMIYKEKRESVSKEDLARATLVTITNNIGSVARMCAVNEKINRVVFVGNFLRVNTLSMKLLAYALDYWSKGQLKALFLEHEGYFGAVGALLGLPNFSDD,posex_set/posex_self_docking_set/7UEU_AN2/7UEU_AN2_protein.pdb,posex_set/posex_self_docking_set/7UEU_AN2/7UEU_AN2_ligand_start_conf.sdf
8QMV_CAP,O=C(O)[C@@](O)(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O,MARAQYEAGVRPYRETYYDPDYEPKDTDLLCAFRITPKPGVPMEEAAAAVAAESSTGTWTEVWSNLLTDLERYKARCYRIEGDVAYIAYPLDLFEEGSIVNIMSSIVGNVFGFKAVQALRLEDMRIPVAYLKTFPGPPTGIQVERDRLNKYGRPLLGGTIKPKLGLSAKEYARVVYECLRGGLDTTKDDENLNSQPFNRWRDRFLYVMEAVRKAEAETGERKGHWLNVTAGSTEEMLKRAEFAAELGSRYIMVDFLTAGFAAFASVRRWARENGLMLHCHRAMHAVFDRQPNHGIHFRVLAKWLRMVGGDHVHTGTVVGKLEGDRAETLGIADLLREDYVPADPGRGLFFDQDWAGLKPVFPVASGGIHVWHVPDLVSIFGDDAFFLFGGGTHGHPRGSRAGATANRVAVEAVVQARNEGRDILAEGREILEEAARSCPELREAMELWGDVKFEVEA,posex_set/posex_self_docking_set/8QMV_CAP/8QMV_CAP_protein.pdb,posex_set/posex_self_docking_set/8QMV_CAP/8QMV_CAP_ligand_start_conf.sdf
7EC9_NOJ,OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,MGSDKIHHHHHHMNNTIPRWRGFNLLEAFSIKSTGNFKEEDFLWMAQWDFNFVRIPMCHLLWSDRGNPFIIREDFFEKIDRVIFWGEKYGIHICISLHRAPGYSVNKEVEEKTNLWKDETAQEAFIHHWSFIARRYKGISSTHLSFNLINEPPFPDPQIMSVEDHNSLIKRTITEIRKIDPERLIIIDGLGYGNIPVDDLTIENTVQSCRGYIPFSVTHYKAEWVDSKDFPVPEWPNGWHFGEYWNREKLLEHYLTWIKLRQKGIEVFCGEMGAYNKTPHDVVLKWLEDLLEIFKTLNIGFALWNFRGPFGILDSERKDVEYEEWYGHKLDRKMLELLRKY,posex_set/posex_self_docking_set/7EC9_NOJ/7EC9_NOJ_protein.pdb,posex_set/posex_self_docking_set/7EC9_NOJ/7EC9_NOJ_ligand_start_conf.sdf
7NU0_DCL,CC(C)C[C@H](N)CO,GMQEHYQPAAIEPAAQKKWDDARISNVSEDASKPKYYCLSMFPYPSGKLHMGHVRNYTIGDVLSRFKLLNGFNVMQPMGWDAFGMPAENAAMKNNVAPAAWTYDNIEYMKTQLKSLGFAVDWEREVATCKPEYYRWEQWLFTKLFEKGIVYRKNGTVNWDPVDQTVLANEQVIDGRGWRSGALIEKREIPMYYFKITDYAEELLNDLDKLEHWPEQVKTMQRNWIGKSRGMTVRFAVSDDSKQGLEGDYAKFLQVYTTRPDTLMGATYVAVAAEHPLATAAAADKPELQAFIAECKAGSVAEADMATMEKKGVPTGRYVVNPLNGDKLEVWIANYVLWGYGDGAVMAVPAHDERDFEFAAKYNLPKKQVIAVGDNAFDANRWQEWYGDKENGVLVNSGDLDGLDFQTAFDAVAAKLQSQGAGEPKTQYRLRDWGISRQRYWGCPIPIVHCEKCGNVPVPADQLPVVLPENVVPDGMGSPLAKMPEFYETSCPCCGGAAKRETDTMDTFIESSWYFFRYMSPKFSDGMVSAESAKYWGAVDQYIGGIEHAIAHLLYARFFTKLMRDEGLVNVDEPFERLLTQGMVVCETYYRENDKGGKDWINPADVELTFDDKGRPVSAVLKADGLPVVISGTEKMSKSKNNGVDPQELINAYGADTARLFMMFAAPPEQSLEWSDSGVEGAHRFLRRLWRTVYEYLKQGGAVKAFAGNQDGLSKELKDLRHKLHSTTAKVSDDYGRRQQFNTAIAAVMELLNQYDKTDTGSEQGRAVAQEVLEAAVRLLWPIVPHICETLWSELNGAKLWEAGWPTVDEAALVKSEIEVMVQVNGKLRGKITVAADASKADLEAAALANEGAVKFMEGKPAKKIIVVPGRLVNIVV,posex_set/posex_self_docking_set/7NU0_DCL/7NU0_DCL_protein.pdb,posex_set/posex_self_docking_set/7NU0_DCL/7NU0_DCL_ligand_start_conf.sdf
8I2R_FRU,OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O,GSGMKETAAAKFERQHMDSPDLGTDDDDKAMADIGSSGYPIPTPHSGQAYDPFADFTAKWTRANARQIKAQSHVPVSPDQNSLPLNLTMPDIPADFPQTNPDVWVWDTWPLADVHGNQLSFQGWEVIFSLTADPHAGYVFDDRHVHARIGFFYRKAGIPANQRPIDGGWIYGGHLFPDGSSVKVFGNVPMTQNAEWSGGARFVGGPQHAYLKNNNVSLYYTATSFNRNAQGGNITPPIAIISRADGQIQADDKHVWFTGFDQHLPLLAPDGKYYQTGQQNEFFSFRDPYVFLDPAHPGKTFMVFEGNTAVQRGSRSCTEADLGYSPNDPNKEDLNAVMDSGAIYQMANVGLAVATNDELTQWKFLPPILSGNCVNDQTERPQIYLKDGKYYLFTISRRTTYAAGVDGPDGVYGFVGDGIRSDFIPLNGLSGLTLGNPTDLYQPAGAPYALNPNQNPRTFQSYSHYVMPGGLVESYIDAIGPRRGGALAPTVKININGTSTILDRTYGNAGLGGYGDIPANLPA,posex_set/posex_self_docking_set/8I2R_FRU/8I2R_FRU_protein.pdb,posex_set/posex_self_docking_set/8I2R_FRU/8I2R_FRU_ligand_start_conf.sdf
8AVA_OVO,Nc1nc(-c2ccc(Cc3ccccc3)cc2)co1,MHHHHHHPEIVDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNLRSLVLDTKDLTIEKVVINGQEVKYALGERQSYKGSPMEISLPIALSKNQEIVIEISFETSPKSSALQWLTPEQTSGKEHPYLFSQCQAIHCRAILPCQDTPSVKLTYTAEVSVPKELVALMSAIRDGETPDPEDPSRKIYKFIQKVPIPCYLIALVVGALESRQIGPRTLVWSEKEQVEKSAYEFSETESMLKIAEDLGGPYVWGQYDLLVLPPSFPYGGMENPCLTFVTPTLLAGDKSLSNVIAHEISHSWTGNLVTNKTWDHFWLNEGHTVYLERHICGRLFGEKFRHFNALGGWGELQNSVKTFGETHPFTKLVVDLTDIDPDVAYSSVPYEKGFALLFYLEQLLGGPEIFLGFLKAYVEKFSYKSITTDDWKDFLYSYFKDKVDVLNQVDWNAWLYSPGLPPIKPNYDMTLTNACIALSQRWITAKEDDLNSFNATDLKDLSSHQLNEFLAQTLQRAPLPLGHIKRMQEVYNFNAINNSEIRFRWLRLCIQSKWEDAIPLALKMATEQGRMKFTRPLFKDLAAFDKSHDQAVRTYQEHKASMHPVTAMLVGKDLKVD,posex_set/posex_self_docking_set/8AVA_OVO/8AVA_OVO_protein.pdb,posex_set/posex_self_docking_set/8AVA_OVO/8AVA_OVO_ligand_start_conf.sdf
9FLQ_A1IDD,Cn1cc(-c2ccn3ncc(-c4ccnc(CN)c4)c3n2)cn1,MHHHHHHSSGVDLGTENLYFQSMGECSQKGPVPFSHCLPTEKLQRCEKIGEGVFGEVFQTIADHTPVAIKIIAIEGPDLVNGSHQKTFEEILPEIIISKELSLLSGEVCNRTEGFIGLNSVHCVQGSYPPLLLKAWDHYNSTKGSANDRPDFFKDDQLFIVLEFEFGGIDLEQMRTKLSSLATAKSILHQLTASLAVAEASLRFEHRDLHWGNVLLKKTSLKKLHYTLNGKSSTIPSCGLQVSIIDYTLSRLERDGIVVFCDVSMDEDLFTGDGDYQFDIYRLMKKENNNRWGEYHPYSNVLWLHYLTDKMLKQMTFKTKCNTPAMKQIKRKIQEFHRTMLNFSSATDLLCQHSLFK,posex_set/posex_self_docking_set/9FLQ_A1IDD/9FLQ_A1IDD_protein.pdb,posex_set/posex_self_docking_set/9FLQ_A1IDD/9FLQ_A1IDD_ligand_start_conf.sdf
8OYQ_W6T,Nc1ncc2ccccc2n1,GSHMVPISFVFNRFPRMVRDLAKKMNKEVNFIMRGEDTELDRTFVEEIGEPLLHLLRNAIDHGIEPKEERIAKGKPPIGTLILSARHEGNNVVIEVEDDGRGIDKEKIIRKAIEKGLIDESKAATLSDQEILNFLFVPGFSTKEKVSEVSGRGVGMDVVKNVVESLNGSISIESEKDKGTKVTIRLPLT,posex_set/posex_self_docking_set/8OYQ_W6T/8OYQ_W6T_protein.pdb,posex_set/posex_self_docking_set/8OYQ_W6T/8OYQ_W6T_ligand_start_conf.sdf
9CJ4_B96,Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1,MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES,posex_set/posex_self_docking_set/9CJ4_B96/9CJ4_B96_protein.pdb,posex_set/posex_self_docking_set/9CJ4_B96/9CJ4_B96_ligand_start_conf.sdf
7R59_I5F,Oc1ccc2c(c1)sc1nncn12,SMDLRVQELIKLICNVQAMEEMMMEMKYNTKKAPLGKLTVAQIKAGYQSLKKIEDCIRAGQHGRALMEACNEFYTRIPHDFGLRTPPLIRTQKELSEKIQLLEALGDIEIAIKLVKTELQSPEHPLDQHYRNLHCALRPLDHESYEFKVISQYLQSTHAPTHSDYTMTLLDLFEVEKDGEKEAFREDLHNRMLLWHGSRMSNWVGILSHGLRIAHPEAPITGYMFGKGIYFADMSSKSANYCFASRLKNTGLLLLSEVALGQCNELLEANPKAEGLLQGKHSTKGLGKMAPSSAHFVTLNGSTVPLGPASDTGILNPDGYTLNYNEYIVYNPNQVRMRYLLKVQFNFLQLW,posex_set/posex_self_docking_set/7R59_I5F/7R59_I5F_protein.pdb,posex_set/posex_self_docking_set/7R59_I5F/7R59_I5F_ligand_start_conf.sdf
7PG7_SAH,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,MAHHHHHHHRSSGTDAGTAGTAGTAGAGAGGDRQHVDALVRMSNLVTPMALRVAATLRLVDHLRAGATSADALADATGADADALARLMRHLAAAGVLEEPEPGHYAPTGLGDLLADDHPSRQRSWLDLDQAVGRADLTFLGLREAVRTGRPQYEARYGKPFWTDLSEDDGLGASFDALMTTREDTAFAAPVAAYDWTRARHVLDVGGAPGGLLTAILRAAPEAHGTLLDLPGAAARTRERIAANGMDERIDVVGGDFFDELPVTADVVVLSFTLLNWSDPDALRILGRCRDALRPGGRIVLLERAEAPSGGTRTSDLYFSVLDMRMLVFLGGRVRTDREWADLAAAAGLDIVGKTGPLVSPNVPLDSCLWELAPR,posex_set/posex_self_docking_set/7PG7_SAH/7PG7_SAH_protein.pdb,posex_set/posex_self_docking_set/7PG7_SAH/7PG7_SAH_ligand_start_conf.sdf
8BM2_QQC,Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)n[nH]1,MGHHHHHHSSGVDLGTENLYFQSMDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG,posex_set/posex_self_docking_set/8BM2_QQC/8BM2_QQC_protein.pdb,posex_set/posex_self_docking_set/8BM2_QQC/8BM2_QQC_ligand_start_conf.sdf
7Q0X_6PC,O=C(O)c1ccccn1,IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN,posex_set/posex_self_docking_set/7Q0X_6PC/7Q0X_6PC_protein.pdb,posex_set/posex_self_docking_set/7Q0X_6PC/7Q0X_6PC_ligand_start_conf.sdf
8P0O_GDU,O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1,GMSRKKNPSVIQFEKAITEKNYEAACTELLDILNKIDTNFGDIEGIDFDYPQQLETLMQDRIVYFCTRMSNAITQLFCDPQFSLSESGANRFFVVQRWLNLIFASSPYINADHILQTYNCNPERDSIYDIYLEPNKNVLMKFAVLYLPESNVNLNLDTMWETDKNICGSLCFALQSPRFIGTPAAFSKRSTILQWFPAKLEQFHVLDDLPSNISHDVYMHCSYDTAENKHNVKKALNQVIRSHLLKCGWQDRQITQIGMRNGKPVMVVVLEHFHSSHSIYRTHSTSMIAAREQFYLIGLGNNAVDQAGRDVFDEFHEFDGSNILKKLAFLKEMCEKNDAAVLYMPSIGMDLATIFVSNARFAPIQVIALGHPATTHSEFIEYVIVEDDYVGSESCFSETLLRLPKDALPYVPSSLAPTDVQYVLRETPEVVNIGIAATTMKLNPYFLETLKTIRDRAKVKVHFHFALGQSIGITHPYVARFIRSYLGDDATAHPHSPYNRYLDILHNCDMMLNPFPFGNTNGIIDMVTLGLVGVCKTGPEVHEHIDEGLFKRLGLPEWLIADSVEDYIERAIRLAENHQERLALRRHIIENNGLKTLFSGDPSPMGKTLFAKLTEWRQTNGI,posex_set/posex_self_docking_set/8P0O_GDU/8P0O_GDU_protein.pdb,posex_set/posex_self_docking_set/8P0O_GDU/8P0O_GDU_ligand_start_conf.sdf
8IQT_SV0,C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)C[C@@H](F)CC(C)(C)O)CC[C@@H]12,DSLRPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVRVNDGGGSHPSRPNSRHTPSFSGDSSSSCSDHCITSSDMMDSSSFSNLDLSEEDSDDPSVTLELSQLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDVTKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLEVFG,posex_set/posex_self_docking_set/8IQT_SV0/8IQT_SV0_protein.pdb,posex_set/posex_self_docking_set/8IQT_SV0/8IQT_SV0_ligand_start_conf.sdf
8S85_A1H5R,CCc1ccccc1N(C)c1cc2c(cn1)ncn2C,GDIVSEKKPATEVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPESGGNHIADLKKEIEILRNLYHENIVKYKGICTEDGGNGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALLK,posex_set/posex_self_docking_set/8S85_A1H5R/8S85_A1H5R_protein.pdb,posex_set/posex_self_docking_set/8S85_A1H5R/8S85_A1H5R_ligand_start_conf.sdf
8BRX_B3M,CSCC[C@H](N)CC(=O)O,MGSSHHHHHHSSGLVPRGSHSTQVAKKILVTCACPYANGSIHLGHMLEHIQADVWVRYQRMRGHEVNFICADDAHGTPIMLKAQQLGITPEQMIGEMSQEHQTDFAGFNISYDNYHSTHSEENRQLSELIYSRLKENGFIKNRTISQLYDPEKGMFLPDRFVKGTCPKCKSPDQYGDNCEVCGATYSPTELIEPKSVVSGATPVMRDSEHFFFDLPSFSEMLQAWTRSGALQEQVANKMQEWFESGLQQWDISRDAPYFGFEIPNAPGKYFYVWLDAPIGYMGSFKNLCDKRGDSVSFDEYWKKDSTAELYHFIGKDCVYFHSLFWPAMLEGSNFRKPSNLFVHGYVTVNGAKMSKSRGTFIKASTWLNHFDADSLRYYYTAKLSSRIDDIDLNLEDFVQRVNADIVNKVVNLASRNAGFINKRFDGVLASELADPQLYKTFTDAAEVIGEAWESREFGKAVREIMALADLANRYVDEQAPWVVAKQEGRDADLQAICSMGINLFRVLMTYLKPVLPKLTERAEAFLNTELTWDGIQQPLLGHKVNPFKALYNRIDMRQVEALVEASK,posex_set/posex_self_docking_set/8BRX_B3M/8BRX_B3M_protein.pdb,posex_set/posex_self_docking_set/8BRX_B3M/8BRX_B3M_ligand_start_conf.sdf
8G9E_YUT,O=P(O)(O)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O[P@](=O)(O)C(F)(F)P(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O,GSFTERQIVVGICSMAKKSKSKPMKEILERISLFKYITVVVFEEEVILNEPVENWPLCDCLISFHSKGFPLDKAVAYAKLRNPFVINDLNMQYLIQDRREVYSILQAEGILLPRYAILNRDPNNPKECNLIEGEDHVEVNGEVFQKPFVEKPVSAEDHNVYIYYPTSAGGGSQRLFRKIGSRSSVYSPESNVRKTGSYIYEEFMPTDGTDVKVYTVGPDYAHAEARKSPALDGKVERDSEGKEVRYPVILNAREKLIAWKVCLAFKQTVCGFDLLRANGQSYVCDVNGFSFVKNSMKYYDDCAKILGNIVMRELAPQFHIPWSIPLEAED,posex_set/posex_self_docking_set/8G9E_YUT/8G9E_YUT_protein.pdb,posex_set/posex_self_docking_set/8G9E_YUT/8G9E_YUT_ligand_start_conf.sdf
8HY6_5ZX,Nc1nc(C(=O)O)c(CCc2ccccc2)s1,EIRPTIGQQMETGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR,posex_set/posex_self_docking_set/8HY6_5ZX/8HY6_5ZX_protein.pdb,posex_set/posex_self_docking_set/8HY6_5ZX/8HY6_5ZX_ligand_start_conf.sdf
8WTF_8CG,CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12,RFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRNIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS,posex_set/posex_self_docking_set/8WTF_8CG/8WTF_8CG_protein.pdb,posex_set/posex_self_docking_set/8WTF_8CG/8WTF_8CG_ligand_start_conf.sdf
7ODB_V8Q,Cc1n[nH]c(=O)[nH]c1=S,MSKGPAVGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIGDAAKNQVAMNPTNTVFDAKRLIGRRFDDAVVQSDMKHWPFMVVNDAGRPKVQVEYKGETKSFYPEEVSSMVLTKMKEIAEAYLGKTVTNAVVTVPAYFNDSQRQATKDAGTIAGLNVLRIINEPTAAAIAYGLDKKVGAERNVLIFDLGGGTFDVSILTIAAGIFEVKSTAGDTHLGGEDFDNRMVNHFIAEFKRKHKKDISENKRAVRRLRTACERAKRTLSSSTQASIEIDSLYEGIDFYTSITRARFEELNADLFRGTLDPVEKALRDAKLDKSQIHDIVLVGGSTRIPKIQKLLQDFFNGKELNKSINPDEAVAYGAAVQAAILSGDKSENVQDLLLLDVTPLSLGIETAGGVMTVLIKRNTTIPTKQTQTFTTYSDNQPGVLIQVYEGERAMTKDNNLLGKFELTGIPPAPRGVPQIEVTFDIDANGILNVSAVDKSTGKENKITITNDKGRLSKEDIERMVQEAEKYKAEDEKQRDKVSSKNSLESYAFNMKATVE,posex_set/posex_self_docking_set/7ODB_V8Q/7ODB_V8Q_protein.pdb,posex_set/posex_self_docking_set/7ODB_V8Q/7ODB_V8Q_ligand_start_conf.sdf
8HUS_7YY,Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1,GFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDTVYCPRHVICTAEDMLNPNYEDLLIRKSNHSFLVQAGNVQLRVIGHSMQNCLLRLKVDTSNPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNHTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGKFYGPFVDRQTAQAAGTDTTITLNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCAALKELLQNGMNGRTILGSTILEDEFTPFDVVRQ,posex_set/posex_self_docking_set/8HUS_7YY/8HUS_7YY_protein.pdb,posex_set/posex_self_docking_set/8HUS_7YY/8HUS_7YY_ligand_start_conf.sdf
9ETR_A1H64,CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C)c(=O)[nH]c4c3F)CC2)c(F)n1,GPLGSKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYSILSEVQQAVSQGSSDSQILDLSNRFYTLIPHDFGMKKPPLLNNADSVQAKAEMLDNLLDIEVAYSLLRGGSDDSSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHATTHNAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFKT,posex_set/posex_self_docking_set/9ETR_A1H64/9ETR_A1H64_protein.pdb,posex_set/posex_self_docking_set/9ETR_A1H64/9ETR_A1H64_ligand_start_conf.sdf
8P7Q_UCJ,CC(C)O[P@](C)(=O)O,GDRINTVRGPITISEAGFTLTHEHICGSSAGFLRAWPEFFGSRAALVEKAVRGLRRARAAGVRTIVDVSTFDIGRDVSLLAEVSRAADVHIVAATGLWEDPPLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATNGKATPFQELVLRAAARASLATGVPVTTHTAASQRDGEQQAAIFESEGLSPSRVCIGHSDDTDDLSYLTALAARGYLIGLDGIPHSAIGLEDNASASALLGNRSWQTRALLIKALIDQGYMKQILVSNDWLFGFSSYVTNIMDVMDSVNPDGMAFIPLRVIPFLREKGVSQETLAGITVTNPARFLSPTLRAS,posex_set/posex_self_docking_set/8P7Q_UCJ/8P7Q_UCJ_protein.pdb,posex_set/posex_self_docking_set/8P7Q_UCJ/8P7Q_UCJ_ligand_start_conf.sdf
8HFN_XGC,COc1ccc(-c2cccc(S(=O)(=O)NC(=O)[C@@H](N)CS)c2)cn1,GMQSWSAPAIPVVPGRGPALRLFDSADRQVRPVTPGPTATMYVCGITPYDATHLGHAATYLTFDLVHRLWLDAGHTVQYVQNVTDVDDPLFERAERDGIDWRTLGDRETQLFREDMAALRVLPPHDYVAATDAIAEVVEMVEKLLASGAAYIVEDAEYPDVYFRADATAQFGYESGYDRDTMLTLFAERGGDPDRPGKSDQLDALLWRAERPGEPSWPSPFGRGRPGWHVECSAIALTRIGTGLDIQGGGSDLIFPHHEYSAAHAESVTGERRFARHYVHTGMIGWDGHKMSKSRGNLVLVSQLRAQGVDPSAIRLGLFSGHYREDRFWSNEVLDEANARLARWRSATALPEAPDATDVIARVRQYLADDLDTPKALAALDGWCTDALSYGGHDTESPRLVATTVDALLGVDL,posex_set/posex_self_docking_set/8HFN_XGC/8HFN_XGC_protein.pdb,posex_set/posex_self_docking_set/8HFN_XGC/8HFN_XGC_ligand_start_conf.sdf
7RWF_7TW,O=C(O)c1cc([N+](=O)[O-])ccc1NCCc1c[nH]c2ccccc12,FMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_self_docking_set/7RWF_7TW/7RWF_7TW_protein.pdb,posex_set/posex_self_docking_set/7RWF_7TW/7RWF_7TW_ligand_start_conf.sdf
7Q5O_8M6,CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cccnc4C)n(Cc4ccco4)c(=O)c23)C1,ALSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMP,posex_set/posex_self_docking_set/7Q5O_8M6/7Q5O_8M6_protein.pdb,posex_set/posex_self_docking_set/7Q5O_8M6/7Q5O_8M6_ligand_start_conf.sdf
8S00_A1H4W,O=C(NCC1(O)CCCCC1)c1cc(=O)c2cc(O)ccc2o1,MAHHHHHHMGTLEAQTQGPGSHYTDNRYKMMECIKDAGRPFYPHKFKISMSLPAYALKYGNVENGYIDKDTTLSLSGRVTSIRSSSSKLIFYDIFCEEQKVQIIANIMEHDISTGEFSVSHSEIRRGDVVGFTGFPGKSKRGELSLFSKSVVLLSPCYHMLPTAISGLKDQEVRYRQRYLDLMLNEESRKVFKLRSRAIKYIRNYFDRLGFLEVETPMLNMIYGGAAARPFITYHNELETQLYMRIAPELYLKQLIVGGLDKVYEIGKNFRNEGIDLTHNPEFTAMEFYMAYADYYDLMDLTEELISGLVLEIHGSLKIPYHPDGPEGKCIEIDFTTPWKRFSFVEEIESGLGEKLKRPLDSQENIDFMVEMCEKHEIELPHPRTAAKLLDKLAGHFVETKCTNPSFIIDHPQTMSPLAKWHREKPEMTERFELFVLGKELCNAYTELNEPLQQRKFFEQQADAKASGDVEACPIDETFCLALEHGLPPTGGWGLGIDRLIMFLADKNNIKEVILFPAMRNVKQNAQHSNQHSGN,posex_set/posex_self_docking_set/8S00_A1H4W/8S00_A1H4W_protein.pdb,posex_set/posex_self_docking_set/8S00_A1H4W/8S00_A1H4W_ligand_start_conf.sdf
8CHL_USV,C=C[C@H]1CN(Cc2ccccn2)C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1,GVQVETISPGDGRTFPKRGQTVVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGWEEGVAQMSVGQRAKLTISPDYAYGATGHPGIIPPHATLVFDVELLKLE,posex_set/posex_self_docking_set/8CHL_USV/8CHL_USV_protein.pdb,posex_set/posex_self_docking_set/8CHL_USV/8CHL_USV_ligand_start_conf.sdf
8RTW_TES,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,ELDIVMTQSPKFMSSSVGDRVSVTCKASQNVGINVAWYQQKPGQSPKALIHSASYRYSGVPDRFTGSGSGTDFTLTISNVQSEDLADYFCQQYNIYPWTFGGATKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC|EVQLQQPGPELVKPGASVKVSCKASGYSFTDHNMYWVKQSHGKSLEWIGSIDPYNGGTRYNQKFRGKATLTVDKSSGTAFMHLNSLTSEDSAVYYCYIGSFYFVYWGQGTLVTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVPRDCGAAAAHHHHHH,posex_set/posex_self_docking_set/8RTW_TES/8RTW_TES_protein.pdb,posex_set/posex_self_docking_set/8RTW_TES/8RTW_TES_ligand_start_conf.sdf
8DJF_SGU,C[C@H]1CCC(O)(O)O1,SAIASNVRVLATDLAFPEGPVVMPDGSVVLVEIRAQQLTRVWPDGRKEVVAKVPGGPNGAALGPDGKMYICNNGGFGWFPSRGTMMPGAPAPHEYIGGSIQRVDLQSGEVETLFDKCGEHPLKGPNDLVFDKHGGLWFTDLGKRRARDMDVGAAYYIKPGMTEITEQVFGTLPLNGIGLSPDEATMYAAETPTGRLWAFDLSGPGEVKPRDVIYRGEKGKPICGLGGYQMFDSLAVEASGNVCVATLVSGCISVIAPDGTLVEQVPTGDRVTTNIAFGGPDLKTAYITLSGKGELIAMDWSRPGLPLNFLNK,posex_set/posex_self_docking_set/8DJF_SGU/8DJF_SGU_protein.pdb,posex_set/posex_self_docking_set/8DJF_SGU/8DJF_SGU_ligand_start_conf.sdf
8CFZ_A1H8H,O=C(CN1CNC=N1)c1ccc(F)cc1F,SNAMSAVMTPAGFTDYKVADITLAAWGRRELIIAESEMPALMGLRRKYAGQQPLKGAKILGCIHMTIQTGVLIETLVALGAEVRWSSCNIFSTQDQAAAAIAAAGIPVFAWKGETEEEYEWCIEQTILKDGQPWDANMVLDDGGDLTEILHKKYPQMLERIHGITEETTTGVHRLLDMLKNGTLKVPAINVNDSVTKSKNDNKYGCRHSLNDAIKRGTDHLLSGKQALVIGYGDVGKGSSQSLRQEGMIVKVAEVDPICAMQACMDGFEVVSPYKNGINDGTEASIDAALLGKIDLIVTTTGNVNVCDANMLKALKKRAVVCNIGHFDNEIDTAFMRKNWAWEEVKPQVHKIHRTGKDGFDAHNDDYLILLAEGRLVNLGNATGHPSRIMDGSFANQVLAQIHLFEQKYADLPAAEKAKRLSVEVLPKKLDEEVALEMVKGFGGVVTQLTPKQAEYIGVSVEGPFKPDTYRY,posex_set/posex_self_docking_set/8CFZ_A1H8H/8CFZ_A1H8H_protein.pdb,posex_set/posex_self_docking_set/8CFZ_A1H8H/8CFZ_A1H8H_ligand_start_conf.sdf
7QD0_ECH,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)CCC2(C)C)C(C)(C)CCC1,MSFTVDSARGIFPNTLTADVVPATIARFNQLNAEDQLALIWFAYLEMGKTITVAALGAANMQFAEITMNQIRQMSFQEQTQVMCDLANRTDTPISRAYGSWTANIKLGFWYQLGEWMAQGIVAPIPSGYKLSANAASVLQAIQGLESGQQITVLRNCVVDMGFDTSKLDSSQRVSEPVVVPRDMAQRTQVTIEGIDNPTVLNYMNNMNANDFEVLIELFTPDGALQPPFQKPIVGKDAVLRFFREECQNLKLIPERGVTEPADGGYTQIKVTGKVQTPWFGAGVGMNMAWRFLLSPENKIFFVAIDLLASPKELLNLVR,posex_set/posex_self_docking_set/7QD0_ECH/7QD0_ECH_protein.pdb,posex_set/posex_self_docking_set/7QD0_ECH/7QD0_ECH_ligand_start_conf.sdf
9JOA_UW0,O=C(CC[C@@H](c1ccccc1)P(=O)(O)O)N(O)CCCc1ccccc1,MKKYIYIYFFFITITINDLVINNTSKCVSIERRKNNAYINYGIGYNGPDNKITKSRRCKRIKLCKKDLIDIGAIKKPINVAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNELYEQAREFLPEYLCIHDKSVYEELKELVKNIKDYKPIILCGDEGMKEICSSNSIDKIVIGIDSFQGLYSTMYAIMNNKIVALANKESIVSAGFFLKKLLNIHKNAKIIPVDSEHSAIFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQNLTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEVIETHFLFDVDYNDIEVIVHKECIIHSCVEFIDKSVISQMYYPDMQIPILYSLTWPDRIKTNLKPLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNFYPTVLNASNEIANNLFLNNKIKYFDISSIISQVLESFNSQKVSENSEDLMKQILQIHSWAKDKATDIYNKHNSS,posex_set/posex_self_docking_set/9JOA_UW0/9JOA_UW0_protein.pdb,posex_set/posex_self_docking_set/9JOA_UW0/9JOA_UW0_ligand_start_conf.sdf
8TWU_RQB,Cn1cc(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)c2ccccc21,MTTTATLTYPFHDWSQELSPRYAQLRASDAPVCPVVSEGTGDHLWLATRYAAAVELLEDPRLSSEAAIASGAPRQEPVELRAPGTRADGVAMLREAGLRSVLADGLGPRAVRRHQGWINDLAETLMSALASREGTFDLAADFVEPLSSALVSRTLLGELSADERDLLAHCADTGLRFCGVTHEEQVHAFTQMHEFFLEHARRLAGTPGEHLLKLIAEAPVDHGPLSDEALAEAGSLLVVAGFPTSSGFLCGALLTLLRHPDAVQELHAHPERVPSAVEELLRYTPLSTGSVKRMATEDLEIDGVRIKVGEVVMVSLEAVNHDPDAFEDPDVFRPGREGPMHFGFGRGRHFCPGNRLARCVIEATVRAVARRPGLRLAVAPEEISWHEGLFFRRPRAIPATWHHHHHH,posex_set/posex_self_docking_set/8TWU_RQB/8TWU_RQB_protein.pdb,posex_set/posex_self_docking_set/8TWU_RQB/8TWU_RQB_ligand_start_conf.sdf
8BIN_QRR,CNc1ncc2cc(-c3ccccc3Cl)c(=O)n(CCCCN)c2n1,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_self_docking_set/8BIN_QRR/8BIN_QRR_protein.pdb,posex_set/posex_self_docking_set/8BIN_QRR/8BIN_QRR_ligand_start_conf.sdf
7QI0_C9I,CC[C@H](NC(=O)[C@H]1CN(c2ccc(C(=N)N)nc2)C(=O)O1)c1cccc2ccccc12,LVHGGPCDKTSHPYQAALYTSGHLLCGGVLIHPLWVLTAAHCKKPNLQVFLGKHNLGQQESSQEQSSVVRAVIHPDYDAASHDQDIMLLRLARPAKLSELIQPLPLERDCSAQTTSCHILGWGKTADGDFPDTIQCAYIHLVSREECEHAYPGQITQNMLCAGDEKYGKDSCQGDSGGPLVCGDHLRGLVSWGNIPCGSKEKPGVYTNVCRYTNWIQKTIQAK,posex_set/posex_self_docking_set/7QI0_C9I/7QI0_C9I_protein.pdb,posex_set/posex_self_docking_set/7QI0_C9I/7QI0_C9I_ligand_start_conf.sdf
8Q2R_ITJ,CNc1nc(Cl)nc2c(C)n[nH]c12,GTSKLKYVLQDARFFLIKSNNHENVSLAKAKGVWSTLPVNEKKLNLAFRSARSVILIFSVRESGKFQGFARLSSESHHGGSPIHWVLPAGMSAKMLGGVFKIDWICRRELPFTKSAHLTNPWNEHKPVKIGRDGQEIELECGTQLCLLFPPDESIDLYQVIHKMRH,posex_set/posex_self_docking_set/8Q2R_ITJ/8Q2R_ITJ_protein.pdb,posex_set/posex_self_docking_set/8Q2R_ITJ/8Q2R_ITJ_ligand_start_conf.sdf
9DUB_A1BB7,c1cc(-c2ccnnc2)ccn1,TVFRQENVDDYYDTGEELGSGQFAVVKKCREKSTGLQYAAKFIKKRRTKSSRRGVSREDIEREVSILKEIQHPNVITLHEVYENKTDVILILELVAGGELFDFLAEKESLTEEEATEFLKQILNGVYYLHSLQIAHFDLKPENIMLLDRNVPKPRIKIIDFGLAHKIDFGNEFKNIFGTPEFVAPEIVNYEPLGLEADMWSIGVITYILLSGASPFLGDTKQETLANVSAVNYEFEDEYFSNTSALAKDFIRRLLVKDPKKRMTIQDSLQHPWIKPKDTQQALSSAWSHPQFEK,posex_set/posex_self_docking_set/9DUB_A1BB7/9DUB_A1BB7_protein.pdb,posex_set/posex_self_docking_set/9DUB_A1BB7/9DUB_A1BB7_ligand_start_conf.sdf
8A08_GSH,N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,MADVKLHGSWVSPFNYRVIWALKLKGVEFEHIVEDLTNKSELLLKYNPVYKKIPVLVHGGKPIAESLVILEYIEETWPENPLLPTDPYERAMARFWIQYGATKTAAFGALFRASGEELEKAAKEVVEVLRVLEEQGLGDKKFFGGDSINLVDISFGLFTCWLEAIEEAAGVKVLEPSTLPRLHAWAQNFIEVPLIKENIPDYDKLLLHMKGVREKMMNK,posex_set/posex_self_docking_set/8A08_GSH/8A08_GSH_protein.pdb,posex_set/posex_self_docking_set/8A08_GSH/8A08_GSH_ligand_start_conf.sdf
8IDH_OWO,Cc1nn(C)c(C)c1-c1cccc(-c2ccnc3nc[nH]c23)c1F,KVSEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDE,posex_set/posex_self_docking_set/8IDH_OWO/8IDH_OWO_protein.pdb,posex_set/posex_self_docking_set/8IDH_OWO/8IDH_OWO_ligand_start_conf.sdf
7HKD_8BT,CS(=O)(=O)NC1CCCC1,GPGIESETPNLDIIGKRIEKIKQEHETSWHYDQDHPYKTWAYHGSYETKQTGSASSMVNGVVRLLTKPWDIIPMVTQMAMTDTTPFGQQRVFKEKVDTRTQEPKEGTKKLMKITAEWLWKELGKKKTPRMCTREEFTRKVRSNAALGAIFTDENKWKSAREAVEDSGFWELVDKERNLHLEGKCETCVYNMMGKREKKLGEFGKAKGSRAIWYMWLGARFLEFEALGFLNEDHWFSRENSLSGVEGEGLHKLGYILRDVSKKEGGAMYADDTAGWDTRITLEDLKNEEMVTNHMEGEHKKLAEAIFKLTYQNKVVRVQRPTPRGTVMDIISRRDQRGSGQVVTYGLNTFTNMEAQLIRQMEGEGVFKSIQHLTVTEEIAVKNWLVRVGRERLSRMAISGDDCVVKPLDDRFASALTALNDMGKVRKDIQQWEPSRGWNDWTQVPFCSHHFHELIMKDGRVLVVPCRNQDELIGRARISQGAGWSLRETACLGKSYAQMWSLMYFHRRDLRLAANAICSAVPSHWVPTSRTTWSIHATHEWMTTEDMLTVWNRVWIQENPWMEDKTPVESWEEIPYLGKREDQWCGSLIGLTSRATWAKNIQTAINQVRSLIGNEEYTDYMPSMKRFRREEEEAGVLW,posex_set/posex_self_docking_set/7HKD_8BT/7HKD_8BT_protein.pdb,posex_set/posex_self_docking_set/7HKD_8BT/7HKD_8BT_ligand_start_conf.sdf
7OP9_06K,Clc1nc(Cl)c2[nH]cnc2n1,MTPHINAKIGDFYPQCLLCGDPLRVSYIAKKFLQDAKEITNVRNMLGFSGKYKGRGISLMGHGMGIASCTIYVTELIKTYQVKELLRIGTCGAISPKVGLKDIIMATGASTDSKTNRVRFLNHDLSATPDFELSLRAYQTAKRLGIDLKVGNVFSSDFFYSFETHAFDLMAKYNHLAIEMEAAGLYATAMELNAKALCLCSVSDHLITKEALSPKERVESFDNMIILALEMMS,posex_set/posex_self_docking_set/7OP9_06K/7OP9_06K_protein.pdb,posex_set/posex_self_docking_set/7OP9_06K/7OP9_06K_ligand_start_conf.sdf
8A46_L5F,Cc1ccc2cc1[C@@H](C)N1Cc3cc(ccc3OS1(=O)=O)OCCOCCn1nnc3c(C)c(ccc31)[C@H]2CC(=O)O,GSHMGPKVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_self_docking_set/8A46_L5F/8A46_L5F_protein.pdb,posex_set/posex_self_docking_set/8A46_L5F/8A46_L5F_ligand_start_conf.sdf
7T93_LMR,O=C(O)C[C@H](O)C(=O)O,MAHHHHHHMGTLEAQTQGPGSMAHSAHDDADNDTEYRIEHDTMGEVRVPAKALWRAQTQRAVENFPISGRGLERAQMRALGLLKGACAQVNMDLGLLAPEKAQAIIAAAAEIADGQHDDQFPIDVFQTGSGTSSNMNTNEVIASIAGANGVAVHPNDDVNMSQSSNDTFPTTTHIAATEAAVSHLIPALEILQDALATKALEWQSVVKSGRTHLMDAVPVTLGQEFSGYARQIEAGIERVRATLPRLGELAIGGTAVGTGLNAPEGFGVKVVSVLVSQTGLPQLRTAANSFEAQAARDGLVEASGALRIIAVSLTKIANDIRWMGSGPLTGLAEIQLPDLQPGSSIMPGKVNPVLPEAVTQVAAQVIGNDAAVAWGGANGAFELNVYIPMMARNILESFTLLTNVSKLFAQRCIAGLTANAEHLRELAESSPSIVTPLNSAIGYEEAAAVAKQALKERKTIRQTVIDRGLIGNKLSLEELDRRLDVLAMAKVEATD,posex_set/posex_self_docking_set/7T93_LMR/7T93_LMR_protein.pdb,posex_set/posex_self_docking_set/7T93_LMR/7T93_LMR_ligand_start_conf.sdf
9B1U_PQQ,O=C(O)c1cc(C(=O)O)c2c(n1)C(=O)C(=O)c1cc(C(=O)O)[nH]c1-2,AGETFRLGVLPFGTASWEAAVIKARGFDTANGFTLDIVKLAGNDAARIAFLGGQVDAIVGDLIFAARLGNEGRGVRFSPYSTTEGALMVPAGSPITDLKGLAGKRLGVAGGALDKNWILLRAQARETAGLELENVAQIAYGAPPLLAQKLETGELDAALLYWQFAARLEAKGFKRLISADDVMRAFGAKGAVSLIGYLYEGHTVADRGEVVRGFARASAAAKDALANEPALWETVRPLMAAEDDATFATLKRDFLAGIPRRPIAAERADGERIYAALDRLAGAQLLGVGKSLPPDLYLDASGNGHHHHHH,posex_set/posex_self_docking_set/9B1U_PQQ/9B1U_PQQ_protein.pdb,posex_set/posex_self_docking_set/9B1U_PQQ/9B1U_PQQ_ligand_start_conf.sdf
8Q0T_IJJ,COc1ccc(CCNC(=O)c2nc(-c3ccc(OC)c(OC)c3)no2)cc1OC,SNAQIDGFVRTLRARPEAGGKVPVFVFHPAGGSTVVYEPLLGRLPADTPMYGFERVEGSIEERAQQYVPKLIEMQGDGPYVLVGWSLGGVLAYACAIGLRRLGKDVRFVGLIDAVRAGEEIPQTKEEIRKRWDRYAAFAEKTFNVTIPAIPYEQLEELDDEGQVRFVLDAVSQSGVQIPAGIIEHQRTSYLDNRAIDTAQIQPYDGHVTLYMADRYHDDAIMFEPRYAVRQPDGGWGEYVSDLEVVPIGGEHIQAIDEPIIAKVGEHMSRALGQIEADRTSEVGKQ,posex_set/posex_self_docking_set/8Q0T_IJJ/8Q0T_IJJ_protein.pdb,posex_set/posex_self_docking_set/8Q0T_IJJ/8Q0T_IJJ_ligand_start_conf.sdf
8EWZ_X0I,O=C(NC1CCCC1)N[C@@H](C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1,MEPKIHYRKDYKPSGFIINQVTLNINIHDQETIVRSVLDMDISKHNVGEDLVFDGVGLKINEISINNKKLVEGEEYTYDNEFLTIFSKFVPKSKFAFSSEVIIHPETNYALTGLYKSKNIIVSQCEATGFRRITFFIDRPDMMAKYDVTVTADKEKYPVLLSNGDKVNEFEIPGGRHGARFNDPPLKPCYLFAVVAGDLKHLSATYITKYTKKKVELYVFSEEKYVSKLQWALECLKKSMAFDEDYFGLEYDLSRLNLVAVSDFNVGAMENKGLNIFNANSLLASKKNSIDFSYARILTVVGHEYFHQYTGNRVTLRDWFQLTLKEGLTVHRENLFSEEMTKTVTTRLSHVDLLRSVQFLEDSSPLSHPIRPESYVSMENFYTTTVYDKGSEVMRMYLTILGEEYYKKGFDIYIKKNDGNTATCEDFNYAMEQAYKMKKADNSANLNQYLLWFSQSGTPHVSFKYNYDAEKKQYSIHVNQYTKPDENQKEKKPLFIPISVGLINPENGKEMISQTTLELTKESDTFVFNNIAVKPIPSLFRGFSAPVYIEDQLTDEERILLLKYDSDAFVRYNSCTNIYMKQILMNYNEFLKAKNEKLESFQLTPVNAQFIDAIKYLLEDPHADAGFKSYIVSLPQDRYIINFVSNLDTDVLADTKEYIYKQIGDKLNDVYYKMFKSLEAKADDLTYFNDESHVDFDQMNMRTLRNTLLSLLSKAQYPNILNEIIEHSKSPYPSNWLTSLSVSAYFDKYFELYDKTYKLSKDDELLLQEWLKTVSRSDRKDIYEILKKLENEVLKDSKNPNDIRAVYLPFTNNLRRFHDISGKGYKLIAEVITKTDKFNPMVATQLCEPFKLWNKLDTKRQELMLNEMNTMLQEPQISNNLKEYLLRLTNKLHHHHHH,posex_set/posex_self_docking_set/8EWZ_X0I/8EWZ_X0I_protein.pdb,posex_set/posex_self_docking_set/8EWZ_X0I/8EWZ_X0I_ligand_start_conf.sdf
7OYJ_3DI,Nc1cccc(-c2ccn[nH]2)c1,MAWQARGLGTARLQLVEFSAFVEPPDAVDSYQRHLFVHISQHCPSPGAPPLESVDVRQIYDKFPEKKGGLRELYDRGPPHAFFLVKFWADLNWGPSGEEAGAGGSISSGGFYGVSSQYESLEHMTLTCSSKVCSFGKQVVEKVETERAQLEDGRFVYRLLRSPMCEYLVNFLHKLRQLPERYMMNSVLENFTILQVVTNRDTQELLLCTAYVFEVSTSERGAQHHIYRLVRDVEHHHHHH,posex_set/posex_self_docking_set/7OYJ_3DI/7OYJ_3DI_protein.pdb,posex_set/posex_self_docking_set/7OYJ_3DI/7OYJ_3DI_ligand_start_conf.sdf
7WUY_76N,C[C@@H]1C=C[C@@H]2CCCC[C@@H]2[C@H]1C(=O)c1c(O)c([C@]2(O)CC[C@H](O)[C@@H]3O[C@@H]32)c[nH]c1=O,MASDASVADSLDTLAAKLIEKAKDLRAGNSTTPQQHEALVGTLKQVQDAVYLPRDDLAAMQMGFVTAAAIRLLLHWKVFEKIPDTGSIRYEELATQVGGDVVIITRICWLLVATGFLVQEGSDRVAHTARTRPFAGVNPLRAWWLMGYDEYVPVLLAMPRYYDTYGIKEPTGRLHTIKAFTEGSPELTVGEIMSRHPERTANMLISMSAMASQYPHTGFYDFSWVAPKAAESATRPLIVDIGGAKGWTLQAICKETPEIPISRCVLQDLSGVIQMVQTVGDEDIRSAQLMAIDFHKEQPVQGALVYMIRRILRDFGDDECVSILQHVVAAMAPDSKLLIADTVTGNPPSWFPAMLDFFLSTIGGKERTEEEFRKITARAGLRITGIHYSDKAEFAMIVCEKAEHHHHHH,posex_set/posex_self_docking_set/7WUY_76N/7WUY_76N_protein.pdb,posex_set/posex_self_docking_set/7WUY_76N/7WUY_76N_ligand_start_conf.sdf
7OME_VK8,O=c1n(Cc2ccc(O)cc2)nc2c(Cc3ccccc3)nc(-c3ccc(O)cc3)cn12,MVSASQRTTSTATGDEWWAKCKQVDVLDSEMSYYDSDPGKHKNTVIFLHGNPTSSYLWRNVIPHVEPLARCLAPDLIGMGKSGKLPNHSYRFVDHYRYLSAWFDSVNLPEKVTIVCHDWGSGLGFHWCNEHRDRVKGIVHMESVVDVIESWDEWPDIEEDIALIKSEAGEEMVLKKNFFIERLLPSSIMRKLSEEEMDAYREPFVEPGESRRPTLTWPREIPLVKGGKPDVIEIVKSYNKWLSTSKDIPKLFINADPGFFSNAIKKVTKNWPNQKTVTVKGLHFLQEDSPEEIGEAIADFLNELTKHHHHHH,posex_set/posex_self_docking_set/7OME_VK8/7OME_VK8_protein.pdb,posex_set/posex_self_docking_set/7OME_VK8/7OME_VK8_ligand_start_conf.sdf
7FE1_5II,CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1C,MNIQAIDTRHGTANQHSFSNGNCLPYTGVPFGMNFYAPQTTDQKGSWWFHPEDRTFQGYRVTHQPSPWMGDFSHLLMTPVSGSLSELSLFHAQSSYRPEESLFSPVEINLTQLRYQITSQLIPSMYGGILTIDYQQKDNHLLLTLPGRYQVKQLDDHQVAVKVINYSGCEDPDFSFYFVLHFEQPLTKWFAPSSGEDGKILLSFGNIAQQVVHFSSSFISEKQAQLNLAREISLRSTEMLQQGIADWHNYFDRLKVTHENPEHTKTFYHTLYRTFLFPQTFYELDENQQPIHYDTFSQTVRPGVLYTNNGFWDTYKTVYPLFSLIAQEKYEEMLEGFLNSYNETGFLPKWLSPDERGLMPGTLIDAVIADAAVKKIRPDLMPQFLEAMKKGATQQSERENYGRQGTLDYLKYGYVPSTYHESVNHTLDYAYSDFCISQVAKTLNDSETATFYRQQALNYQQLFNPETGFMQAKDTEGNFRPDFLDIRWGKDYAEGSAWQSSFAVYQDFAGLIKLYGSELAFEKKLIQLCNQAPNFNVEGYGFEIHEMSEMAAIDFGQLAISNQPSFHYPFLFSYIGKPEMAQPLLKQLMQTFDASPTGYPGDEDNGSMSAWYIFNSLGFYPVTPGAGEYVIGMPLVQTAEVKLSNGKQLTIQTSPNKVQQQFIHEIQLNQEKHTAPYFTHQELLNGGTLDYQLGIVPNPQTTAERPFSLSTEKLEHHHHHH,posex_set/posex_self_docking_set/7FE1_5II/7FE1_5II_protein.pdb,posex_set/posex_self_docking_set/7FE1_5II/7FE1_5II_ligand_start_conf.sdf
8I7S_6CI,COc1ccc(O)cc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)cc12,SPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQES,posex_set/posex_self_docking_set/8I7S_6CI/8I7S_6CI_protein.pdb,posex_set/posex_self_docking_set/8I7S_6CI/8I7S_6CI_ligand_start_conf.sdf
7UAT_PLP,Cc1ncc(COP(=O)(O)O)c(C=O)c1O,MNDIAHNLAQVRDKISAAATRCGRSPEEITLLAVSATKPASAIAEAIDAGQRQFGENYVQEGVDKIRHFQELGVTGLEWHFIGPLQSNKSRLVAEHFDWCHTIDRLRIATRLNDQRPAELPPLNVLIQINISDENSKSGIQLAELDELAAAVAELPRLRLRGLMAIPAPESEYVRQFEVARQMAVAFAGLKTRYPHIDTLSLGMSDDMEAAIAAGSTMVRIGTAIFGARDYSKK,posex_set/posex_self_docking_set/7UAT_PLP/7UAT_PLP_protein.pdb,posex_set/posex_self_docking_set/7UAT_PLP/7UAT_PLP_ligand_start_conf.sdf
7XEF_D0I,OC[C@@]1(c2ccccc2)CCN(Cc2ccccc2)C1,MHHHHHHTSKIEQPRWASKDSAAGAASTPDEKIVLEFMDALTSNDAAKLIEYFAEDTMFQAMPLPPAYGRDAVEQTLAGLFTVMSIDAVETFHIGSSNGLVYTERVDVLRALPTGKSYNLSILGVFQLTEGKITGWRDYFDLREFEEAVDLPLRG,posex_set/posex_self_docking_set/7XEF_D0I/7XEF_D0I_protein.pdb,posex_set/posex_self_docking_set/7XEF_D0I/7XEF_D0I_ligand_start_conf.sdf
8RCW_YQF,O=C(CCC(F)(F)F)N1CCC(c2ccc(F)cc2)CC1,ELGSLIRATNLWGYTDLMRELGADPLPFLRRFDIPPGIEHQEDAFMSLAGFVRMLEASAAELDCPDFGLRLARWQGLGILGPVAVIARNAATLFGGLEAIGRYLYVHSPALTLTVSSTTARSNVRFGYEVTEPGIPYPLQGYELSMANAARMIRLLGGPQARARVFSFRHAQLGTDAAYREALGCTVRFGRTWCGFEVDHRLAGRPIDHADPETKRIATKYLESQYLPS,posex_set/posex_self_docking_set/8RCW_YQF/8RCW_YQF_protein.pdb,posex_set/posex_self_docking_set/8RCW_YQF/8RCW_YQF_ligand_start_conf.sdf
8WNJ_GV6,CC[C@H](C)[C@H](N)C(=O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,MEEYKDTLNLNTTTFSMKGNLSVNEPKTYAKWQEQQAFKRMQARKDNHGDFTLHDGPPYANGHLHLGHALNKILKDIVVKREYFKGKKIYYTPGWDCHGLPIEQQILERLEKEKTSLENPTLFREKCRDHAKKFLEIQKNEFLQLGVLGDFEDPYKTMDFKFEASIYRALVEVAKKGLLKERHKPIYWSYACESALAEAEVEYKMKKSPSIFVAFGLKKESLEKLKVKKASLVIWTTTPWTLYANVAIALKKDAVYALTQKGYLVAKALHEKLAALGVVDNEITHEFNSNDLEYLVATNPLNQRDSLVALGEHVGLEDGTGAVHTAPGHGEEDYYLGLRYNLEVLMSVDEKGCYDEGIIHNQLLDESYLGEHVFKAQKRIIEQLGDSLLLEQEIEHSYPHCWRTHKPVIYRATTQWFILMDEPFIQNDGSQKTLREVALDAIEKVEFVPSSGKNRLKTMIENRPDWCLSRQRKWGVPLAFFIDKRTNKPCFESEVLEHVANLFEKKGCDVWWEYSVKDLLPPSYQEDAKHYEKIMHILDVWFDSGSTFKAVLEDYHGEKGQSPSDVILEGSDQHRGWFQSSLLIGCVLNNQAPFKKVITHGFIVDEKGEKMSKSKGNVVSLDKLLKTHGSDVVRLWVAFNDYQNDLRVSQTFFTQTEQHYKKFRNTLKFLLANFSDMDLKNLERPHNFSPLDHFMLETLETISAGVNSAFEEHDFVKGLNILMAFVTNELSGIYLDACKDSLYCDSKNNEKRQAIQMVLLATASKLCYFLAPILTHTIEEVLEHSQALRIFLQAKDVFDLKDISVSEKLHLKEFKKPENFEAVLALRSAFNEELDRLKKEGVIKNSLECAIEVKEKALDENLVEELLMVSFVGIAKEKLSETPAFTLFKAPFYKCPRCWRFKSELENTPCKRCEQVLKER,posex_set/posex_self_docking_set/8WNJ_GV6/8WNJ_GV6_protein.pdb,posex_set/posex_self_docking_set/8WNJ_GV6/8WNJ_GV6_ligand_start_conf.sdf
7Z2S_IHS,O=S(=O)(O)O[C@H]1[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O,GPQSEPELKLESVVIVSRHGVRAPTKATQLMQDVTPDAWPTWPVKLGWLTPRGGELIAYLGHYQRQRLVADGLLAKKGCPQSGQVAIIADVDERTRKTGEAFAAGLAPDCAITVHTQADTSSPDPLFNPLKTGVCQLDNANVTDAILSRAGGSIADFTGHRQTAFRELERVLNFPQSNLCLKREKQDESCSLTQALPSELKVSADNVSLTGAVSLASMLTEIFLLQQAQGMPEPGWGRITDSHQWNTLLSLHNAQFYLLQRTPEVARSRATPLLDLIKTALTPHPPQKQAYGVTLPTSVLFIAGHDTNLANLGGALELNWTLPGQPDNTPPGGELVFERWRRLSDNSQWIQVSLVFQTLQQMRDKTPLSLNTPPGEVKLTLAGCEERNAQGMCSLAGFTQIVNEARIPACSL,posex_set/posex_self_docking_set/7Z2S_IHS/7Z2S_IHS_protein.pdb,posex_set/posex_self_docking_set/7Z2S_IHS/7Z2S_IHS_ligand_start_conf.sdf
8QK2_VTF,Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccccc4N(C)S(C)(=O)=O)cc3)CC2)n1,MATLFIADLHLQTEEPEITAGFLRFLQGEARQADALYILGDLFEAWIGDDDPNPLHQQIASAIKAVVDAGVPCYFIHGNRDFLVGQRFARQSGMILLAEEERLDLYGREVLIMHGDTLCTDDQGYLAFRAKVHTPWIQRLFLALPLFIRHRIAARMRADSKAANSSKSMEIMDVNPQAVVDAMERHHVQWLIHGHTHRPAVHELQANGQPAWRVVLGAWHSEGSMVKVTPDDVELIHFPFHHHHHH,posex_set/posex_self_docking_set/8QK2_VTF/8QK2_VTF_protein.pdb,posex_set/posex_self_docking_set/8QK2_VTF/8QK2_VTF_ligand_start_conf.sdf
8J2X_BLA,C=CC1=C(C)/C(=C/c2[nH]c(/C=C3\N=C(/C=C4\NC(=O)C(C)=C4C=C)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O,VDILAAGREELMAALAEGDEHAAVDLAMRLLDGGVPADVVLLELVADAQVEIGVLWQANRWSVAQEHAATAISERVIAAVGDRAAAAPTRGHVVVACLDGEWHALPARIVAEVLRGRGWRVTFLGASVPAAHLVPYLEEHGPDAVALSCTLPRGLPRADQVVAACRATGTPVLVGGLGFGPDGRWARVLGAGTWAPTARAAADLLDRPEWPRTALPAPPRPADPEYAALRARRAELVDAGLAALHEWFPPLRDYDARRLDATLDDLGDIVDHLAASVYVDDPELFGEFVTWTAEVLAARGVSPASVEVALEAIARVLDDHPRTRHHLDHGRRALAAHLEHH,posex_set/posex_self_docking_set/8J2X_BLA/8J2X_BLA_protein.pdb,posex_set/posex_self_docking_set/8J2X_BLA/8J2X_BLA_ligand_start_conf.sdf
6ZAK_ACV,CC(C)[C@@H](NC(=O)[C@H](CS)NC(=O)CCC[C@H](N)C(=O)O)C(=O)O,MGSVSKANVPKIDVSPLFGDDQAAKMRVAQQIDAASRDTGFFYAVNHGINVQRLSQKTKEFHMSITPEEKWDLAIRAYNKEHQDQVRAGYYLSIPGKKAVESFCYLNPNFTPDHPRIQAKTPTHEVNVWPDETKHPGFQDFAEQYYWDVFGLSSALLKGYALALGKEENFFARHFKPDDTLASVVLIRYPYLDPYPEAAIKTAADGTKLSFEWHEDVSLITVLYQSNVQNLQVETAAGYQDIEADDTGYLINCGSYMAHLTNNYYKAPIHRVKWVNAERQSLPFFVNLGYDSVIDPFDPREPNGKSDREPLSYGDYLQNGLVSLINKNGQT,posex_set/posex_self_docking_set/6ZAK_ACV/6ZAK_ACV_protein.pdb,posex_set/posex_self_docking_set/6ZAK_ACV/6ZAK_ACV_ligand_start_conf.sdf
8A8I_L9I,CCOC(=O)/C(=N\O)C(C)=O,MSALFEPYTLKDVTLRNRIAIPPMCQYMAEDGLINDWHQVHYASMARGGAGLLVVEATAVAPEGRITPGCAGIWSDAHAQAFVPVVQAIKAAGSVPGIQIAHAGRKASANRPWEGDDHIGADDARGWETIAPSAIAFGAHLPNVPRAMTLDDIARVKQDFVDAARRARDAGFEWIELHFAHGYLGQSFFSEHSNKRTDAYGGSFDNRSRFLLETLAAVREVWPENLPLTARFGVLEYDGRDEQTLEESIELARRFKAGGLDLLSVSVGFTIPETNIPWGPAFMGPIAERVRREAKLPVTSAWGFGTPQLAEAALQANQLDLVSVGRAHLADPHWAYFAAKELGVEKASWTLPAPYAHWLERYRRPHHHHHH,posex_set/posex_self_docking_set/8A8I_L9I/8A8I_L9I_protein.pdb,posex_set/posex_self_docking_set/8A8I_L9I/8A8I_L9I_ligand_start_conf.sdf
7RGX_57I,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccccc1[N+](=O)[O-],MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_self_docking_set/7RGX_57I/7RGX_57I_protein.pdb,posex_set/posex_self_docking_set/7RGX_57I/7RGX_57I_ligand_start_conf.sdf
7NQM_UMZ,c1ccc2c(CCc3ccncn3)c[nH]c2c1,MTATVLLEVPFSARGDRIPDAVAELRTREPIRKVRTITGAEAWLVSSYALCTQVLEDRRFSMKETAAAGAPRLNALTVPPEVVNNMGNIADAGLRKAVMKAITPKAPGLEQFLRDTANSLLDNLITEGAPADLRNDFADPLATALHCKVLGIPQEDGPKLFRSLSIAFMSSADPIPAAKINWDRDIEYMAGILENPNITTGLMGELSRLRKDPAYSHVSDELFATIGVTFFGAGVISTGSFLTTALISLIQRPQLRNLLHEKPELIPAGVEELLRINLSFADGLPRLATADIQVGDVLVRKGELVLVLLEGANFDPEHFPNPGSIELDRPNPTSHLAFGRGQHFCPGSALGRRHAQIGIEALLKKMPGVDLAVPIDQLVWRTRFQRRIPERLPVLW,posex_set/posex_self_docking_set/7NQM_UMZ/7NQM_UMZ_protein.pdb,posex_set/posex_self_docking_set/7NQM_UMZ/7NQM_UMZ_ligand_start_conf.sdf
7WDH_IC6,O=C(CCCCCn1ccnc1)N[C@@H](Cc1ccccc1)C(=O)O,GMTIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLATSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDENKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPLLEHHHHHH,posex_set/posex_self_docking_set/7WDH_IC6/7WDH_IC6_protein.pdb,posex_set/posex_self_docking_set/7WDH_IC6/7WDH_IC6_ligand_start_conf.sdf
8KD0_GAL,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,MGSSHHHHHHSSGLVPRGSHMAPKAEVLHWWTGGGEAKALKVLQDEFAAQNGVWLDMPVSGGGGDAAMQTLKARIVANDAPAAAQIKGPTIQEYDEEGVVAPYNIDAVAKKEGWDNLLSKQVASHMKCDDGKAYCAAPVNIHRIDWIWANKKVLDSNGIKMPSTWAEFNAAADKLQANGIIPLAHGSQPWQDATVFEAVALGVGGNDFYRKAFVDLDAATLGGSTMTKVFDQMRKLKGYTDAGSPGRDWNVATGMVMEGKAAFQIMGDWAKGEFAANNMAPGKDYICAPTPSNNGYLYNVDSFIFYKVKGKDKVEGQKLLASLMMGKNFQKVFNIYKGSIPARLDVSMDEFDMCAKKSNADLKTAGSKGGLLPSFAHGMALRLAQKGAIQDVVTEHFNSNMSSSDAAKKLAAAVKASL,posex_set/posex_self_docking_set/8KD0_GAL/8KD0_GAL_protein.pdb,posex_set/posex_self_docking_set/8KD0_GAL/8KD0_GAL_ligand_start_conf.sdf
8ABW_LHX,COc1cc([C@H](O)[C@@H](CO)c2ccc(O)c(OC)c2)ccc1O,MGSSHHHHHHSSGLVPRGSHMMADVETRLAELEKKVQQLEDVNAIRRLQWAYGYYIDYNRPEEVAGLFAKDGVVVFLSGEYVGYEGVMRLYGTWFQNRFTGGRRGPVHGLLLDHFQLQDIITVAEDGQTAKGRFRGILAGGWHDEVLHEKPDEVPQQFWESGLYENDYVKEDGVWKIKRLDYMMQWQGDYETGWAHTVAHLQPALVCYPENPDGPDRILPQKDVRQTWPHRYEVPMSFAHPVLGKAFMVENFTPMMMKKEKPA,posex_set/posex_self_docking_set/8ABW_LHX/8ABW_LHX_protein.pdb,posex_set/posex_self_docking_set/8ABW_LHX/8ABW_LHX_ligand_start_conf.sdf
7A9H_TPP,Cc1ncc(C[n+]2csc(CCO[P@](=O)(O)OP(=O)(O)O)c2C)c(N)n1,MKHHHHHHPMSDYDIPTTENLYFQGAMGMLQQIRGPADLQHLSQAQLRELAAEIREFLIHKVAATGGHLGPNLGVVELTLALHRVFDSPHDPIIFDTGHQAYVHKMLTGRSQDFATLRKKGGLSGYPSRAESEHDWVESSHASAALSYADGLAKAFELTGHRNRHVVAVVGDGALTGGMCWEALNNIAASRRPVIIVVNDNGRSYAPTIGGVADHLAGGGGGGGPQLLFTDLGLKYVGPVDGHDERAVEVALRSARRFGAPVIVHVVTRKGMGYPPAEADQAEQMHSTVPIDPATGQATKVAGPGWTATFSDALIGYAQKRRDIVAITAAMPGPTGLTAFGQRFPDRLFDVGIAEQHAMTSAAGLAMGGLHPVVAIYSTFLNRAFDQIMMDVALHKLPVTMVLDRAGITGSDGASHNGMWDLSMLGIVPGIRVAAPRDATRLREELGEALDVDDGPTALRFPKGDVGEDISALERRGGVDVLAAPADGLNHDVLLVAIGAFAPMALAVAKRLHNQGIGVTVIDPRWVLPVSDGVRELAVQHKLLVTLEDNGVNGGAGSAVSAALRRAEIDVPCRDVGLPQEFYEHASRSEVLADLGLTDQDVARRITGWVAALGTGVCASDAIPEHLD,posex_set/posex_self_docking_set/7A9H_TPP/7A9H_TPP_protein.pdb,posex_set/posex_self_docking_set/7A9H_TPP/7A9H_TPP_ligand_start_conf.sdf
8OO2_AV8,Cc1ccc2c(C)c3c(c(O)c2c1O)C(=O)[C@@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N)[C@H]1C3,GAMAVRLSPETFARAALKLLNKSGLEGVSLRKLGDELGVQGPALYAHFKNKQELLDLMAEIMLDEALAPLDAMTEVADWHWWLAERARTIRRTLLSYRDGALLHAGSRPTADGAEAIPALLRPLREAGFSDKEALTVIITIGRYTLGCVIDEQRPGEPAPQPGPGADDTFEFGLQALLAGLRARLPERVPDSAG,posex_set/posex_self_docking_set/8OO2_AV8/8OO2_AV8_protein.pdb,posex_set/posex_self_docking_set/8OO2_AV8/8OO2_AV8_ligand_start_conf.sdf
8X74_92L,CS(=O)(=O)c1ccc(C(O)=C2C(=O)CCCC2=O)c([N+](=O)[O-])c1,MADESWRVPTPVQELAAGVVEPPTQFVLQEQDRPGSGTLLFATDMPEPIPVVDLSRLAAADEASKLRSALETWGLFLVTKHGIEASLMDDVMAASRDFFYQPLEAKQEYSNLIGGKRFQMEGYGNDMVKSKDQILDWQDRLQLRVEPQDERNLAYWPKHPDSFRDLLEKYASKTKIVRNKVLRAMGKTLELGEDYFISQIGDRASAIARFNYYPPCPRPDLVFGIKPHSDGGAVTILLVDKDVGGLQVQKDGVWYTVPSMPHTLLVNLGDSMEIMNNGIFKSPVHRVVTNAEKERLSLAMFYGVEGQRVLEPALGLLGEERPARYRKIMASDYIIGLRQGIAEGQRFIETLKI,posex_set/posex_self_docking_set/8X74_92L/8X74_92L_protein.pdb,posex_set/posex_self_docking_set/8X74_92L/8X74_92L_ligand_start_conf.sdf
7PCG_9TY,O=C(O)C1(C(=O)O)CC1,GSHMASNDLIYQDEHASLQPLEGRTVAVIGYGIQGRAFAANLRDSGVAVRVGNIDDRYFELARAEGHRVTNIAEAVAHADIVLLLIPDEAHGAVFDVDIAPNLRDGALLCVAHGHSLVQGDVRPLPGRDLAMLAPRMYGDPIRRYYLAGQGAPAYFDIVADHTGRARDRVLAIARAVGFTRAGVMALGYRQETFLDLFQEQFLAPALVDLVETGFQVLVERGFNPKAALLEVYGSGEMGKMMLDGADIGLDEVVALQGSPTCQVGYHRWRGRTLPTAVRELAARVLDQIEGGDFSAYLKEQASNDYASLDDARRAALKRPLNVAHAQVRAAFRFPTEAAGGLYQAAQAPADVEPEAAR,posex_set/posex_self_docking_set/7PCG_9TY/7PCG_9TY_protein.pdb,posex_set/posex_self_docking_set/7PCG_9TY/7PCG_9TY_ligand_start_conf.sdf
7ZOC_T8E,CC(=O)c1ccc(NC(=O)[C@H](C)S)cc1,MGSSHHHHHHSSGENLYFQGGTLDKFKKEGKEKYCPKTYTFDDGKVIIKAGARVEEEKVKRLYWASKEVNSQFFRVYGIDKPLEEGNPDDILTMVIYNSPEEYKLNSVLYGYDTNNGGMYIEPEGTFFTYEREAQESTYTLEELFRHEYTHYLQGRYAVPGQWGRTKLYDNDRLTWYEEGGAELFAGSTRTSGILPRKSIVSNIHNTTRNNRYKLSDTVHSKYGASFEFYNYACMFMDYMYNKDMGILNKLNDLAKNNDVDGYDNYIRDLSSNHALNDKYQDHMQERIDNYENLTVPFVADDYLVRHAYKNPNEIYSEISEVAKLKDAKSEVKKSQYFSTFTLRGSYTGGVSKGKLEDQKAMNKFIDDSLKKLDTYSWSGYKTLTAYFTNYKVDSSNKVTYDVVFHGYLPNEG,posex_set/posex_self_docking_set/7ZOC_T8E/7ZOC_T8E_protein.pdb,posex_set/posex_self_docking_set/7ZOC_T8E/7ZOC_T8E_ligand_start_conf.sdf
8AUB_O8I,CCOC(=O)/C(=N\O)C(=O)CC,HHHHHHMASSAQDGNNPLFSPYKMGKFNLSHRVVLAPMTRCRALNNIPQAALGEYYEQRATAGGFLITEGTMISPTSAGFPHVPGIFTKEQVREWKKIVDVVHAKGAVIFCQLWHVGRASHEVYQPAGAAPISSTEKPISNRWRILMPDGTHGIYPKPRAIGTYEISQVVEDYRRSALNAIEAGFDGIEIHGAHGYLIDQFLKDGINDRTDEYGGSLANRCKFITQVVQAVVSAIGADRVGVRVSPAIDHLDAMDSNPLSLGLAVVERLNKIQLHSGSKLAYLHVTQPRYVAYGQTEAGRLGSEEEEARLMRTLRNAYQGTFICSGGYTRELGIEAVAQGDADLVSYGRLFISNPDLVMRIKLNAPLNKYNRKTFYTQDPVVGYTDYPFLQGNGSNGPLSRL,posex_set/posex_self_docking_set/8AUB_O8I/8AUB_O8I_protein.pdb,posex_set/posex_self_docking_set/8AUB_O8I/8AUB_O8I_ligand_start_conf.sdf
8XFI_6L0,O=C1CCC(=O)N(O)C/C=C/CCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN1,SNTASKSLSPMPQIAGVTYYGDIPKQPKRVVSLASTYTGYLKKLDMNLVGVTSYDKKNPILAKTVKKAKQVAATDLEAITTLKPDLIVVGSTEENIKQLAEIAPVISIEYRKRDYLQVLSDFGRIFNKEGKAKKWLKDWKTKTAAYEKEVKAVTGDKATFTIMGLYEKDVYLFGKDWGRGGEIIHQAFHYDAPEKVKTEVFKQGYLSLSQEVLPDYIGDYVVIAAEDDKTGSALYESKLWQSIPAVKKHHVIKVNANVFYFTDPLSLEYQLETLREAILSSEN,posex_set/posex_self_docking_set/8XFI_6L0/8XFI_6L0_protein.pdb,posex_set/posex_self_docking_set/8XFI_6L0/8XFI_6L0_ligand_start_conf.sdf
8GR9_OAA,O=C([O-])CC(=O)C(=O)O,MTVPYLNSNRNVASYLQSNSSQEKTLKERFSEIYPIHAQDVRQFVKEHGKTKISDVLLEQVYGGMRGIPGSVWEGSVLDPEDGIRFRGRTIADIQKDLPKAKGSSQPLPEALFWLLLTGEVPTQAQVENLSADLMSRSELPSHVVQLLDNLPKDLHPMAQFSIAVTALESESKFAKAYAQGISKQDYWSYTFEDSLDLLGKLPVIAAKIYRNVFKDGKMGEVDPNADYAKNLVNLIGSKDEDFVDLMRLYLTIHSDHEGGNVSAHTSHLVGSALSSPYLSLASGLNGLAGPLHGRANQEVLEWLFALKEEVNDDYSKDTIEKYLWDTLNSGRVIPGYGHAVLRKTDPRYMAQRKFAMDHFPDYELFKLVSSIYEVAPGVLTEHGKTKNPWPNVDAHSGVLLQYYGLKESSFYTVLFGVSRAFGILAQLITDRAIGASIERPKSYSTEKYKELVKNIESKL,posex_set/posex_self_docking_set/8GR9_OAA/8GR9_OAA_protein.pdb,posex_set/posex_self_docking_set/8GR9_OAA/8GR9_OAA_ligand_start_conf.sdf
8IVG_DTT,O[C@@H](CS)[C@@H](O)CS,LHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_self_docking_set/8IVG_DTT/8IVG_DTT_protein.pdb,posex_set/posex_self_docking_set/8IVG_DTT/8IVG_DTT_ligand_start_conf.sdf
7PPE_7YK,C[C@@H]1CC(=O)N(C2CCOCC2)N=C1c1ccc(NC(=O)N2Cc3ccncc3C2)cc1,GMNPAAEAEFNILLATDSYKVTHYKQYPPNTSKVYSYFECREKKTENSKLRKVKYEETVFYGLQYILNKYLKGKVVTKEKIQEAKDVYKEHFQDDVFNEKGWNYILEKYDGHLPIEIKAVPEGFVIPRGNVLFTVENTDPECYWLTNWIETILVQSWYPITVATNSREQKKILAKYLLETSGNLDGLEYKLHDFGYRGVSSQETAGIGASAHLVNFKGTDTVAGLALIKKYYGTKDPVPGYSVPAAEHSTITAWGKDHEKDAFEHIVTQFSSVPVSVVSDSYDIYNACEKIWGEDLRHLIVSRSTQAPLIIRPDSGNPLDTVLKVLEILGKKFPVTENSKGYKLLPPYLRVIQGDGVDINTLQEIVEGMKQKMWSIENIAFGSGGGLLQKLTRDLLNCSFKCSYVVTNGLGINVFKDPVADPNKRSKKGRLSLHRTPAGNFVTLEEGKGDLEEYGQDLLHTVFKNGKVTKSYSFDEIRKNAQLNIELEAAHH,posex_set/posex_self_docking_set/7PPE_7YK/7PPE_7YK_protein.pdb,posex_set/posex_self_docking_set/7PPE_7YK/7PPE_7YK_ligand_start_conf.sdf
7ZHN_VP7,CC(C)(O)C#Cc1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCC3,MNMSGGGEQADILPANYVVKDRWKVLKKIGGGGFGEIYEAMDLLTRENVALKVESAQQPKQVLKMEVAVLKKLQGKDHVCRFIGCGRNEKFNYVVMQLQGRNLADLRRSQPRGTFTLSTTLRLGKQILESIEAIHSVGFLHRDIKPSNFAMGRLPSTYRKCYMLDFGLARQYTNTTGDVRPPRNVAGFRGTVRYASVNAHKNREMGRHDDLWSLFYMLVEFAVGQLPWRKIKDKEQVGMIKEKYEHRMLLKHMPSEFHLFLDHIASLDYFTKPDYQLIMSVFENSMKERGIAENEAFDWEKAGTDALLS,posex_set/posex_self_docking_set/7ZHN_VP7/7ZHN_VP7_protein.pdb,posex_set/posex_self_docking_set/7ZHN_VP7/7ZHN_VP7_ligand_start_conf.sdf
8V6W_YHE,Cc1cc(C)cc(-c2onc3ccc(/C=C/C(=O)O)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_self_docking_set/8V6W_YHE/8V6W_YHE_protein.pdb,posex_set/posex_self_docking_set/8V6W_YHE/8V6W_YHE_ligand_start_conf.sdf
7PRM_81I,O=C(c1ccco1)N1CCN([C@@H]2CC(=O)N(c3ccc(-c4ccc(F)cc4)cc3)C2)CC1,MGSSHHHHHHSSGENLYFQGMPEESSPRRTPQSIPYQDLPHLVNADGQYLFCRYWAPTGTPKALIFVSHGAGEHSGRYEELARMLMGLDLLVFAHDHVGHGQSEGERMVVSDFHVFVRDVLQHVDSMQKDYPGLPVFLLGHSMGGAIAILTAAERPGHFAGMVLISPLVLANPESATTFKVLAAKVLNSVLPNLSSGPIDSSVLSRNKTEVDIYNSDPLICRAGLKVCFGIQLLNAVSRVERALPKLTVPFLLLQGSADRLCDSKGAYLLMELAKSQDKTLKIYEGAYHVLHKELPEVTNSVFHEINMWVSQRTATAGTASPP,posex_set/posex_self_docking_set/7PRM_81I/7PRM_81I_protein.pdb,posex_set/posex_self_docking_set/7PRM_81I/7PRM_81I_ligand_start_conf.sdf
8DKQ_SJU,O=C(O)Cc1ccco1,SRPQSTLRRAITAAYRRPETECLPPLVEAATQSKEIRDAAASTARKLIEALRGKHSGSGSSGSMMGEQFVTGETIREALKRSKELEEKGFSYSYDMLGEAATTAADAERYYRDYESAIHAIGKASAGRGIYEGPGISIKLSALHPRYSRAQAARVMGELLPRVKALALLAKNYDIGLNIDAEEADRLELSLDLLEVLCLDGDLSGWNGMGFVVQAYGKRCPFVLDFIIDLARRSGRRIMVRLVKGAYWDAEIKRAQLDGLADFPVFTRKIHTDVSYIACAAKLLAATDVVFPQFATHNAQTLAAIYHMAGKDFHVGKYEFQCLHGMGEPLYEEVVGRGKLDRPCRIYAPVGTHETLLAYLVRRLLENGANSSFVHRINDPKVSIDELIADPVEVVR,posex_set/posex_self_docking_set/8DKQ_SJU/8DKQ_SJU_protein.pdb,posex_set/posex_self_docking_set/8DKQ_SJU/8DKQ_SJU_ligand_start_conf.sdf
7VTG_FJF,O=c1[nH]cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1,MREKDYVVIIGSANIDVAGYSHESLNYADANPGKIKFTPGGVGRNIAQNLALLGNKAWLLSAVGSDFYGQSLLTQTNQSGVYVDKCLIVPGENTSSYLSLLDNTGEMLVAINDMNISNAITAEYLAQHREFIQRAKVIVADCNISEEALAWILDNAANVPVFVDPVSAWKCVKVRDRLNQIHTLKPNRLEAETLSGIALSGRDDVAKVAAWFHQHGLNRLVLSMGGDGVYYSDIRGENGWSAPIKTNVINVTGAGDAMMAGLASCWVDGMPFAESVRFAQGCSSMALSCEYTNNPDLSIANVISLVENAECLN,posex_set/posex_self_docking_set/7VTG_FJF/7VTG_FJF_protein.pdb,posex_set/posex_self_docking_set/7VTG_FJF/7VTG_FJF_ligand_start_conf.sdf
9CE4_A1AV4,Cn1cc(-n2ncc3cc(Cl)c([C@H]4CC[N@H+](C5COC5)CC4)cc32)cn1,PFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKK,posex_set/posex_self_docking_set/9CE4_A1AV4/9CE4_A1AV4_protein.pdb,posex_set/posex_self_docking_set/9CE4_A1AV4/9CE4_A1AV4_ligand_start_conf.sdf
7QGP_DJ8,Cc1cc(Cl)ccc1CNC(=O)Nc1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1,SMRKSREYEHVRRDLDPNEVWEIVGELGDGAFGKVYKAKNKETGALAAAKVIETKSEEELEDYIVEIEILATCDHPYIVKLLGAYYHDGKLWIMIEFCPGGAVDAIMLELDRGLTEPQIQVVCRQMLEALNFLHSKRIIHRDLKAGNVLMTLEGDIRLADFGVSAKNLKTLQKRDSFIGTPYWMAPEVVMCETMKDTPYDYKADIWSLGITLIEMAQIEPPHHELNPMRVLLKIAKSDPPTLLTPSKWSVEFRDFLAIALDKNPETRPSAAQLLEHPFVSSITSNKALRELVAEAKAEVMEE,posex_set/posex_self_docking_set/7QGP_DJ8/7QGP_DJ8_protein.pdb,posex_set/posex_self_docking_set/7QGP_DJ8/7QGP_DJ8_ligand_start_conf.sdf
7ZSQ_JTO,O=c1[nH]cnc2c(Sc3ccccc3OCP(=O)(O)O)c[nH]c12,VADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARFR,posex_set/posex_self_docking_set/7ZSQ_JTO/7ZSQ_JTO_protein.pdb,posex_set/posex_self_docking_set/7ZSQ_JTO/7ZSQ_JTO_ligand_start_conf.sdf
7Z5U_IFW,CC(=O)Nc1ccccc1OCc1cn(CCNC(=O)[C@@H](CC(C)C)C(=O)NO)nn1,MGSSHHHHHHSSGENLYFQGGTDHDKFLDDAEKHYLPKTYTFDNGTFIIRAGDKVSEEKIKRLYWASREVKSQFHRVVGNDKALEVGNADDVLTMKIFNSPEEYKFNTNINGVSTDNGGLYIEPRGTFYTYERTPQQSIFSLEELFRHEYTHYLQARYLVDGLWGQGPFYEKNRLTWFDEGTAEFFAGSTRTSGVLPRKLILGYLAKDKVDHRYSLKKTLNSGYDDSDWMFYNYGFAVAHYLYEKDMPTFIKMNKAILNTDVKSYDEIIKKLSDDANKNTEYQNHIQELVDKYQGAGIPLVSDDYLKDHGYKKASEVYSEISKAASLTNTSVTAEKSQYFNTFTLRGTYTGETSKGEFKDWDEMSKKLDGTLESLAKNSWSGYKTLTAYFTNYRVTSDNKVQYDVVFHGVLTDNG,posex_set/posex_self_docking_set/7Z5U_IFW/7Z5U_IFW_protein.pdb,posex_set/posex_self_docking_set/7Z5U_IFW/7Z5U_IFW_ligand_start_conf.sdf
9GIC_A1ILQ,N[C@H](CNC(=O)C1=[SH]CC(Cc2ccccc2)=C1)C(=O)O,MSTRLKIVTIHQEPFVYVKPTLSDGTCKEEFTVNGDPVKKVICTGPNDTSPGSPRHTVPQCCYGFCIDLLIKLARTMNFTYEVHLVADGKFGTQERVNNSNKKEWNGMMGELLSGQADMIVAPLTINNERAQYIEFSKPFKYQGLTILVKKGTRITGINDPRLRNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAIQAVRDNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPWKQNVSLSILKSHENGFMEDLDKTWVRYQECDSR,posex_set/posex_self_docking_set/9GIC_A1ILQ/9GIC_A1ILQ_protein.pdb,posex_set/posex_self_docking_set/9GIC_A1ILQ/9GIC_A1ILQ_ligand_start_conf.sdf
5SRH_TFA,O=C(O)C(F)(F)F,SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL,posex_set/posex_self_docking_set/5SRH_TFA/5SRH_TFA_protein.pdb,posex_set/posex_self_docking_set/5SRH_TFA/5SRH_TFA_ligand_start_conf.sdf
8UOJ_X5I,O=C1COc2ccc(-c3cnc4ccccn34)nc2N1C[C@H]1CCCCCN1,GAMGSDEQPHIGNYRLLKTLGKGNFAKVKRARHILTGREVAIKIIDKTQLNPTSLQKLFREVRIMKILNHPNIIKLFEVIETEKTLYLIMEYASKGEVYDYLVEHGRMKEKEARSKFRQIVSAVQYCHQKRIVHRDLKAENLLLDADMNIKIADFGFSNEFTVGGKLDTFCGSPPYAAPELFQGKKYDGPEVDVWSLGVILYTLVSGSLPFDGQNLKELRERVLRGKYRIPFYMSTDCENLLKRFLVLNPIKRGTLEQIMKDRWINAGHEEDELKPFVEPELDISDQKRIDIMVGMGYSQEEIQESLSKMKYDEITATYLLLGRKSSE,posex_set/posex_self_docking_set/8UOJ_X5I/8UOJ_X5I_protein.pdb,posex_set/posex_self_docking_set/8UOJ_X5I/8UOJ_X5I_ligand_start_conf.sdf
8R3U_XTQ,CC(C)C[C@H](CN)n1ccc2c(-c3cccnc3)cccc2c1=O,GSEGSLEREAPAGALAAVLKHSSTLPPESTQVRGYDFNRGVNYRALLEAFGTTGFQATNFGRAVQQVNAMIEKKLEPLSQDEDQHADLTQSRRPLTSCTIFLGYTSNLISSGIRETIRYLVQHNMVDVLVTTAGGVEEDLIKCLAPTYLGEFSLRGKELRENGINRIGNLLVPNENYCKFEDWLMPILDQMVMEQNTEGVKWTPSKMIARLGKEINNPESVYYWAQKNHIPVFSPALTDGSLGDMIFFHSYKNPGLVLDIVEDLRLINTQAIFAKCTGMIILGGGVVKHHIANANLMRNGADYAVYINTAQEFDGSDSGARPDEAVSWGKIRVDAQPVKVYADASLVFPLLVAETFAQKMDAFMHEKNED,posex_set/posex_self_docking_set/8R3U_XTQ/8R3U_XTQ_protein.pdb,posex_set/posex_self_docking_set/8R3U_XTQ/8R3U_XTQ_ligand_start_conf.sdf
8EFN_4BW,Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@@](=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4CO[P@@](=O)(O)O[C@H]3[C@H]2O)c(=O)[nH]1,NVADGFAWNYYFGYLKLVLPRLEAQIAKSSEFRYKITKKKLYILVPKTCYVYDNIADADPRVTWAGDLTPCKINRGGIKERIYKQAVYRVAMTDKHEYFFILEYASNLMSLYDMSLHEDAPLSRQERDDQVVLFIRKLREILEGCKECRGKCEIVPISGDEKSKIADVLVAIHNATQVESDEADL,posex_set/posex_self_docking_set/8EFN_4BW/8EFN_4BW_protein.pdb,posex_set/posex_self_docking_set/8EFN_4BW/8EFN_4BW_ligand_start_conf.sdf
8ZTX_A1D83,Cc1ccc(O)c(C)c1-c1cc(-c2ccncc2)cc(C(N)=O)c1N,HQLQPRRVSFRGEASETLQSPGYDPSRPESFFQQSFQRLSRLGHGSYGEVFKVRSKEDGRLYAVKRSMSPFRGPKDRARKLAEVGSHEKVGQHPCCVRLEQAWEEGGILYLQTELCGPSLQQHCEAWGASLPEAQVWGYLRDTLLALAHLHSQGLVHLDVKPANIFLGPRGRCKLGDFGLLVELGTAGAGEVQEGDPRYMAPELLQGSYGTAADVFSLGLTILEVACNMELPHGGEGWQQLRQGYLPPEFTAGLSSELRSVLVMMLEPDPKLRATAEALLALPVLRQP,posex_set/posex_self_docking_set/8ZTX_A1D83/8ZTX_A1D83_protein.pdb,posex_set/posex_self_docking_set/8ZTX_A1D83/8ZTX_A1D83_ligand_start_conf.sdf
7UT5_ORO,O=C(O)c1cc(=O)[nH]c(=O)[nH]1,MGSSHHHHHHSSGLVPRGSHMLYSLARPMLFSLAPERAHELTLSMLDKAHKLGMMRQTVEAKPTTCMGIEFPNPVGLAAGLDKNGAHIDALAGLGFGFIEIGTITPRPQSGNPKPRLFRIPEAKAIINRMGFNNDGVDKLIENVKASKFRGILGINIGKNADTPVEKAVDDYLICLEKVYNYASYITVNISSPNTKNLRSLQSGDALTELLQTLKARQLELAEQYNHYVPLVLKVAPDLTAEDVEFISAQLLDFKIDGLIVTNTTLSREGVENLPYGNESGGLSGAPVFEKSTECLRLFAQTLKGQIPLIGVGGILSGEQAAAKQQAGATLVQIYSGLIYTGPTLVKQCVEAMT,posex_set/posex_self_docking_set/7UT5_ORO/7UT5_ORO_protein.pdb,posex_set/posex_self_docking_set/7UT5_ORO/7UT5_ORO_ligand_start_conf.sdf
8FH8_XY0,O=C(O)Cc1nn(Cc2nc3cc(Cl)ccc3s2)c(=O)c2nccnc12,MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKPAVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKHNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCALLSCTSHKDYPFHEEF,posex_set/posex_self_docking_set/8FH8_XY0/8FH8_XY0_protein.pdb,posex_set/posex_self_docking_set/8FH8_XY0/8FH8_XY0_ligand_start_conf.sdf
8PBE_NCD,NC(=O)N[C@@H](CC(=O)O)C(=O)O,KLVRLPGLIDVHVHLREPGGTHKEDFASGTAAALAGGITMVCAMPNTRPPIIDAPALALAQKLAEAGARCDFALFLGASSENAGTLGTVAGSAAGLTLYLNETFSELRLDSVVQWMEHFETWPSHLPIVAHAEQQTVAAVLMVAQLTQRSVHICHVARKEEILLIKAAKARGLPVTCEVAPHHLFLSHDDLERLGPGKGEVRPELGSRQDVEALWENMAVIDCFASDHAPHTLEEKCGSRPPPGFPGLETMLPLLLTAVSEGRLSLDDLLQRLHHNPRRIFHLPPQEDTYVEVDLEHEWTIPSHMPFSKAHWTPFEGQKVKGTVRRVVLRGEVAYIDGQVLVPPGYGQDVRKWPQGAVPQLP,posex_set/posex_self_docking_set/8PBE_NCD/8PBE_NCD_protein.pdb,posex_set/posex_self_docking_set/8PBE_NCD/8PBE_NCD_ligand_start_conf.sdf
7DUA_HJ0,Cc1cc(NC(=O)c2cn(C3(C)CC3)c3ncnc(N)c23)n[nH]1,GPLSLSVDAFKILEDPKWEFPRKNLVLGKTLGEGEFGKVVKATAFHLKGRAGYTTVAVKMLKENASPSELRDLLSEFNVLKQVNHPHVIKLYGACSQDGPLLLIVEYAKYGSLRGFLRESRKVGPGYLGSGGSRNSSSLDHPDERALTMGDLISFAWQISQGMQYLAEMKLVHRDLAARNILVAEGRKMKISDFGLSRDVYEEDSYVKRSQGRIPVKWMAIESLFDHIYTTQSDVWSFGVLLWEIVTLGGNPYPGIPPERLFNLLKTGHRMERPDNCSEEMYRLMLQCWKQEPDKRPVFADISKDLEKMMVKRR,posex_set/posex_self_docking_set/7DUA_HJ0/7DUA_HJ0_protein.pdb,posex_set/posex_self_docking_set/7DUA_HJ0/7DUA_HJ0_ligand_start_conf.sdf
8DP2_UMA,CC(=O)N[C@H]1[C@@H](O[P@@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)O,MAHHHHHMFRIVVGLGKSGMSLVRYLARRGLPFAVVDTRENPPELATLRAQYPQVEVRCGELDAEFLCSARELYVSPGLSLRTPALVQAAAKGVRISGDIDLFAREAKAPIVAITGSNAKSTVTTLVGEMAVAADKRVAVGGNLGTPALDLLADDIELYVLELSSFQLETCDRLNAEVATVLNVSEDHMDRYDGMADYHLAKHRIFRGARQVVVNRADALTRPLIADTVPCWSFGLNKPDFKAFGLIEEDGQKWLAFQFDKLLPVGELKIRGAHNYSNALAALALGHAVGLPFDAMLGALKAFSGLAHRCQWVRERQGVSYYDDSKATNVGAALAAIEGLGADIDGKLVLLAGGDGKGADFHDLREPVARFCRAVVLLGRDAGLIAQALGNAVPLVRVATLDEAVRQAAELAREGDAVLLSPACASLDMFKNFEERGRLFAKAVEELA,posex_set/posex_self_docking_set/8DP2_UMA/8DP2_UMA_protein.pdb,posex_set/posex_self_docking_set/8DP2_UMA/8DP2_UMA_ligand_start_conf.sdf
8V09_PGH,O=C(COP(=O)(O)O)NO,MGSSHHHHHHSSGLVPRGSHMARKFFVGGNWKMNGSKASIKSLVETLNASKLDNKTEVVVAPPAIYLPQVRQALRKDIQVAAQNCYTKASGAFTGEISPEMLKDLGIPWVILGHSERRHIFGESDEFVAEKVKYALDQGLKVIACIGETLEEREAGKTMEVCARQLKAIAKKISESDWSNVVIAYEPVWAIGTGKVATPEQAQEVHAAIRKWLAENVSAEVAESTRIIYGGSVNGGNCAELAKQPDIDGFLVGGASLKPEFVDIINARKQ,posex_set/posex_self_docking_set/8V09_PGH/8V09_PGH_protein.pdb,posex_set/posex_self_docking_set/8V09_PGH/8V09_PGH_ligand_start_conf.sdf
7X3L_8FO,CC[C@@H](C(=O)O)c1ccc(-c2ccc(C)c(F)c2)c(C(F)(F)F)c1,MHHHHHHDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPMSLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNRSKLLDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTAEDMKAIDGLDRNLHYFNSDSFASHPNYPYSDEY,posex_set/posex_self_docking_set/7X3L_8FO/7X3L_8FO_protein.pdb,posex_set/posex_self_docking_set/7X3L_8FO/7X3L_8FO_ligand_start_conf.sdf
7XPO_UPG,O=c1ccn([C@@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1,MVSAVLRTILVTGGAGYIGSHTVLQLLQQGFRVVVVDNLDNASEAALARVAELAGHDGANLVFHKVDLRDRHALVDIFSSHRFEAVIHFAGLKAVGESVHKPLLYYDNNLVGTITLLEVMAANGCKKLVFSSSATVYGWPKEVPCTEEFPLCATNPYGRTKLVIEDICRDVHRSDPDWKIILLRYFNPVGAHPSGYIGEDPCGVPNNLMPYVQQVAVGRLPHLTVYGTDYSTKDGTGVRDYIHVVDLADGHIAALRKLYEDSDKIGCEVYNLGTGKGTSVLEMVAAFEKASGKKIPLVFAGRRPGDAEIVYAATAKAEKELKWKAKYGIEEMCRDLWNWASKNPYGYAGSRDNSK,posex_set/posex_self_docking_set/7XPO_UPG/7XPO_UPG_protein.pdb,posex_set/posex_self_docking_set/7XPO_UPG/7XPO_UPG_ligand_start_conf.sdf
7ULC_56B,Nc1nc2c(c(CN[C@H]3C=C[C@H](O)[C@@H]3O)cn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,MADPGDRLGVLTTTRRVVEQAQAVWIDHDAVAQIAEAFAARQVTPPTWNRELHWSDGREALANYILVLDAVNFCFWGEPRWRIEYAGAVYDGYWALAASLKRALEQGVPLTDASYLAEITRDDVATIFAGEGEIPLLDERARILRETGSVLAERFAGRFSDAIAAAGRSAVALVDIVTNAFPSFRDVATYRGEQVRFYKRAQILVSDLYGAFDGSDLGAFDDLGELTAFANYKVPQVLHHLGILRYAPALHDRLARREEIPAGSPEEVEIRAATIWGVEELRRALASRGHALDAYQVDWLLWDEGQRLPAGTLPYHRTRTIFYLEHHHHHH,posex_set/posex_self_docking_set/7ULC_56B/7ULC_56B_protein.pdb,posex_set/posex_self_docking_set/7ULC_56B/7ULC_56B_ligand_start_conf.sdf
7ZRN_PPV,O=P(O)(O)OP(=O)(O)O,MKHHHHHHPMSDYDIPTTENLYFQGAMAMHRALLCPFPATTPHPQAAQLANDCLEWTRKCGLLPDESPRTLDKVRSYSALAAHCYPDAHFERLRAICDYYSWLFFFDDVCENTSLNGAEPKVVSSLLFDVYGVLRGPTAAVGHAPFAQALADIWRRIGDGCPGFWRRRLIRHVENYIDGCVWEAQNRQLDRVPSRAVFEGMRMHTSTMYEFWDFIEYAGDLFLPDEVVEHPLVAEVRRAGNAIASFANDIYSLRKETSNRDVHNLVVVLMHEERIELEAAYARAAGIHDAQVEHFLDLVKHLPTFSATIDRNLARYVEGIRIWIRANHDWSIVTPRYNEPDAR,posex_set/posex_self_docking_set/7ZRN_PPV/7ZRN_PPV_protein.pdb,posex_set/posex_self_docking_set/7ZRN_PPV/7ZRN_PPV_ligand_start_conf.sdf
7E6A_PG4,OCCOCCOCCOCCO,MGHMNITDIREQFPILHQQVNGHDLVYLDSAATSQKPRAVIETLDKYYNQYNSNVHRGVHTLGTRATDGYEGAREKVRKFINAKSMAEIIFTKGTTTSLNMVALSYARANLKPGDEVVITYMEHHANIIPWQQAVKATGATLKYIPLQEDGTISLEDVRETVTSNTKIVAVSHVSNVLGTVNPIKEMAKIAHDNGAVIVVDGAQSTPHMKIDVQDLDCDFFALSSHKMCGPTGVGVLYGKKALLENMEPAEFGGEMIDFVGLYESTWKELPWKFEAGTPIIAGAIGLGAAIDFLEEIGLDEISRHEHKLAAYALERFRQLDGVTVYGPEERAGLVTFNLDDVHPHDVATVLDAEGIAVRAGHHAAQPLMKWLDVTATARASFYLYNTEEEIDKLVEALQKTKEYFTNVFVDLEHHHHHH,posex_set/posex_self_docking_set/7E6A_PG4/7E6A_PG4_protein.pdb,posex_set/posex_self_docking_set/7E6A_PG4/7E6A_PG4_ligand_start_conf.sdf
7OZC_G6S,O=S(=O)(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,MGSSHHHHHHSSGLVPRGSHMASQKTSQQVEEKPNVIVILADDLGFGDVSAYGSTTIHTPNIDSLARGGVCFTNGYATSATSTPSRYALMTGMYPWKNKDAKILPGDAPLIINESQYTLPKMMRECGYVTGAIGKWHLGMGNGNVNWNETVKPGAKEIGFDYSCLIAATNDRVPTVYVENGDVVGRDPSDPIEVSYEQNFEGEPTAISNPEMLKMQWAHGHNNSIVNGIPRIGYMKGGKKARWKDEDMADYFVDKVKNFITEHRDSSFFLYYGLHEPHVPRAPHQRFVGKTTMGPRGDAIVEADWCVGELLTYLKKEGLLEKTLIIFSSDNGPVLNDGYKDGAPELAGKHAPAGGLRGGKYSLFDGGTHIPLFVYWKGKIQPVKSDALVCQMDLLASLGSMVGATLPDGLDSRNYLNAFMGTELKARENLIIEAQGRLGYRSGDWIMMPPYKGSQRNLTGNELGNLDEFSLFDVKSDKGQKSNVAGRHPELLERLKQEFFVQTDGFYRSEVEEEPLK,posex_set/posex_self_docking_set/7OZC_G6S/7OZC_G6S_protein.pdb,posex_set/posex_self_docking_set/7OZC_G6S/7OZC_G6S_ligand_start_conf.sdf
7VL1_GYP,CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,SEKYFVKNGQPHFLISGEVHYFRINPKLWRNHLQLLKQTGADTVSTYIPWDWHEIEEDDFDFEGKTHPARNLIRFIKLCKEENLDLIVKPGPYILAEYENQGLPSWLLKKLSKNAFALDENGNVISPDLVSYLSDEFLEYTFKWYDKVMPIISKHQKEHYGPITMMQLCNEIGVFQWLSGKSDYNPKVINLYKEFIIQRYKTIEKLNSVYSTNYNSFDDLKAPSGKIKLRSDYCAYFDFHLFFREYYNKYISILKNKIRSFGINIKLTHNIPGWIYGNASELPMLISTYSEIMKNHPDIIFGLDHIPEFVSFRNAHSDLACNKILEAMQPEAPVWAAEFQAGTREHHVKAYAKDLETFYIASLAHGIKGFNYYMFSQGINPEGKGFYGKTFYFQTALDAASNKLALYDSIKKVNRFIRKEQKDLLRTNVNSEICVGFYKPYFFTELISSQLLKEKKLNVEELGLYIDPRFLREEILFNGLLRGLQTLNYNYDVVDLENCDLKSLTAYKQLWITSAEFMDAETQNLLSEFVLNGGNLILYPAVPTLDNYLNRCEILKNNFGIEFITKDSSHKVSAFGIEDVFTAFSKKQIYNDTNSKPIAFTQENEICGIRKKIGKGELTILGFAFGYTSDEHLELIDKLVKLNKIKRELFVSDKDIQFVVRENNKSRYIFFLNYHNERKTFNYRKSSELKKKKSEEISIAPFSYKVIKENK,posex_set/posex_self_docking_set/7VL1_GYP/7VL1_GYP_protein.pdb,posex_set/posex_self_docking_set/7VL1_GYP/7VL1_GYP_ligand_start_conf.sdf
7TYP_KUR,Cc1nccnc1-c1nn2c(=O)cc(-c3ccc(C4CCCCC4)cc3)[nH]c2c1C(=O)N1CC(CF)C1,AWQARGLGTARLQLVEFSAFVEPPDAVDSYQRHLFVHISQHCPSPGAPPLESVDVRQIYDKFPEKKGGLRELYDRGPPHAFFLVKFWADLNWGPSGEEAGAGGSISSGGFYGVSSQYESLEHMTLTCSSKVCSFGKQVVEKVETERAQLEDGRFVYRLLRSPMCEYLVNFLHKLRQLPERYMMNSVLENFTILQVVTNRDTQELLLCTAYVFEVSTSERGAQHHIYRLVRD,posex_set/posex_self_docking_set/7TYP_KUR/7TYP_KUR_protein.pdb,posex_set/posex_self_docking_set/7TYP_KUR/7TYP_KUR_ligand_start_conf.sdf
8TDQ_YTT,O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]1Cc1ccc(O)cc1,TATVLLEVPFSARGDRIPDAVAELRTREPIRKVRTITGAEAWLVSSYALCTQVLEDRRFSMKETAAAGAPRLNALTVPPEVVNNMGNIADAGLRKAVMKAITPKAPGLEQFLRDTANSLLDNLITEGAPADLRNDFADPLATALHCKVLGIPQEDGPKLFRSLSIAFMSSADPIPAAKINWDRDIEYMAGILENPNITTGLMGELSRLRKDPAYSHVSDELFATIGVTFFGAGVISTGSFLTTALISLIQRPQLRNLLHEKPELIPAGVEELLRINLSFADGLPRLATADIQVGDVLVRKGELVLVLLEGANFDPEHFPNPGSIELDRPNPTSHLAFGRGQHFCPGSALGRRHAQIGIEALLKKMPGVDLAVPIDQLVWRTRFQRRIPERLPVLW,posex_set/posex_self_docking_set/8TDQ_YTT/8TDQ_YTT_protein.pdb,posex_set/posex_self_docking_set/8TDQ_YTT/8TDQ_YTT_ligand_start_conf.sdf
7ZO2_DQM,C[C@@H]1[C@H]([C@H](C(=O)O)[C@@H](C)O)N=C(C(=O)O)[C@H]1S[C@@H]1CN[C@H](CNS(N)(=O)=O)C1,GPAEVPLPQLRAYTVDASWLQPMAPLQIADHTWQIGTEDLTALLVQTPDGAVLLDGGMPQMASHLLDNMKARGVTPRDLRLILLSHAHADHAGPVAELKRRTGAKVAANAESAVLLARGGSDDLHFGDGITYPPANADRIVMDGEVITVGGIVFTAHFMAGHTPGSTAWTWTDTRNGKPVRIAYADSLSAPGYQLQGNPRYPHLIEDYRRSFATVRALPCDVLLTPHPGASNWDYAAGARAGAKALTCKAYADAAEQKFDGQLAKETAGAR,posex_set/posex_self_docking_set/7ZO2_DQM/7ZO2_DQM_protein.pdb,posex_set/posex_self_docking_set/7ZO2_DQM/7ZO2_DQM_ligand_start_conf.sdf
9B2O_A1AI3,CCCCCCCC(=O)N[C@@H](CCO)C(=O)O,WSHPQFEKENLYFQSMANVIKARPKLYVMDNGRMRMDKNWMIAMHNPATIHNPNAQTEFVEFPIYTVLIDHPEGKILFDTSCNPNSMGPQGRWAESTQQMFPWTATEECYLHNRLEQLKVRPEDIRYVVASHLHLDHAGCLEMFTNATIIVHEDEFNGALQCYARNQKEGAYIWADIDAWIKNNLQWRTVKRHEDNILLAEGVKVLNFGSGHAWGMLGLHVELPETGGIILASDAIYTAESYGPPIKPPGIIYDSLGYMNTVERIRRIAQETKSQVWFGHDAEQFKKFRKSTEGYYE,posex_set/posex_self_docking_set/9B2O_A1AI3/9B2O_A1AI3_protein.pdb,posex_set/posex_self_docking_set/9B2O_A1AI3/9B2O_A1AI3_ligand_start_conf.sdf
8CEY_UEF,CC1(C)CC(NC(=O)c2csc3cncn23)C1,GSHMRHRTLSSSPALWASIPCPRSELRLDLVLASGQSFRWKEQSPAHWSGVLADQVWTLTQTEDQLYCTVYRGDDSQVSRPTLEELETLHKYFQLDVSLAQLYSHWASVDSHFQRVAQKFQGVRLLRQDPTECLFSFICSSNNNIARITGMVERLCQAFGPRLIQLDDVTYHGFPNLHALAGPEAETHLRKLGLGYRARYVRASAKAILEEQGGPAWLQQLRVAPYEEAHKALCTLPGVGAKVADCICLMALDKPQAVPVDVHVWQIAHRDYGWHPKTSQAKGPSPLANKELGNFFRNLWGPYAGWAQAVLFSADLRQ,posex_set/posex_self_docking_set/8CEY_UEF/8CEY_UEF_protein.pdb,posex_set/posex_self_docking_set/8CEY_UEF/8CEY_UEF_ligand_start_conf.sdf
8DUH_TVL,C[C@@H]1CCCN1CCOc1ccc([C@@H]2c3ccc(O)cc3CC3(CC3)N2C(=O)c2ccccc2)cc1,MSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLESAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKSVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKSKNVVPSYDLLLEMLDAHRLHAPTS,posex_set/posex_self_docking_set/8DUH_TVL/8DUH_TVL_protein.pdb,posex_set/posex_self_docking_set/8DUH_TVL/8DUH_TVL_ligand_start_conf.sdf
7FYD_VLQ,CC(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O,GSHMATVQQLEGRWRLVDSKGFDEYMKELGVGIALRKMGAMAKPDCIITCDGKNLTIKTESTLKTTQFSCTLGEKFEETTADGRKTQTVCNFTDGALVQHQEWDGKESTITRKLKDGKLVVECVMNNVTCTRIYEKVE,posex_set/posex_self_docking_set/7FYD_VLQ/7FYD_VLQ_protein.pdb,posex_set/posex_self_docking_set/7FYD_VLQ/7FYD_VLQ_ligand_start_conf.sdf
8X35_DST,CC(C)=CCS[P@@](=O)(O)OP(=O)(O)O,GTMSSLVLQCWKLSSPSLILQQNTSISMGAFKGIHKLQIPNSPLTVSARGLNKISCSLNLQTEKLCYEDNDNDLDEELMPKHIALIMDGNRRWAKDKGLEVYEGHKHIIPKLKEICDISSKLGIQIITAFAFSTENWKRSKEEVDFLLQMFEEIYDEFSRSGVRVSIIGCKSDLPMTLQKCIALTEETTKGNKGLHLVIALNYGGYYDILQATKSIVNKAMNGLLDVEDINKNLFDQELESKCPNPDLLIRTGGEQRVSNFLLWQLAYTEFYFTNTLFPDFGEEDLKEAIMNFQQRHRRFGGHTY,posex_set/posex_self_docking_set/8X35_DST/8X35_DST_protein.pdb,posex_set/posex_self_docking_set/8X35_DST/8X35_DST_ligand_start_conf.sdf
8BSD_TBN,Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,SSQAWQPGVAMPNLYKMQRMLLEKCDLQNYGDSATLPKGIMMNVAKYTQLCQYLNTLTLAVPYNMRVIHFGAGSDKGVAPGTAVLRQWLPTGTLLVDSDLNDFVSDADSTLIGDCATVHTANKWDLIISDMYDPKTKNVTKENDSKEGFFTYICGFIQQKLALGGSVAIKITEHSWNADLYKLMGHFAWWTAFVTNVNASSSEAFLIGCNYLGKPREQIDGYVMHANYIFWRNTNPIQLSSYSLFDMSKFPLKLRGTAVMSLKEGQINDMILSLLSKGRLIIRENNRVVISSDVLVNNENLYFQ|GAGNATEVPANSTVLSFCAFAVDAAKAYKDYLASGGQPITNCVKMLCTHTGTGQAITVTPEANMDQESFGGASCCLYCRCHIDHPNPKGFCDLKGKYVQIPTTCANDPVGFTLKNTVCTVCGMWKGYGCSCDQLREPMLQ,posex_set/posex_self_docking_set/8BSD_TBN/8BSD_TBN_protein.pdb,posex_set/posex_self_docking_set/8BSD_TBN/8BSD_TBN_ligand_start_conf.sdf
8AN6_BTN,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,MAHGPFNAQGFTDFDSLSGTSTTWVNELGSVMTIDVDRKGGVTGYFVNNAPGTGCRGLPYDLSGHAHGSTIAFSVVWSNGIADCRSATSWAGYARKTFGGGVQIVTQWSLAFVGKAGGKIETGQNVFTYQAYDAQPSPADK,posex_set/posex_self_docking_set/8AN6_BTN/8AN6_BTN_protein.pdb,posex_set/posex_self_docking_set/8AN6_BTN/8AN6_BTN_ligand_start_conf.sdf
8G65_YW9,Cc1cc(C)n(-c2ccc(N)cc2)n1,MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHED,posex_set/posex_self_docking_set/8G65_YW9/8G65_YW9_protein.pdb,posex_set/posex_self_docking_set/8G65_YW9/8G65_YW9_ligand_start_conf.sdf
8XPV_4Z5,CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(C)nc2n1,DPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_self_docking_set/8XPV_4Z5/8XPV_4Z5_protein.pdb,posex_set/posex_self_docking_set/8XPV_4Z5/8XPV_4Z5_ligand_start_conf.sdf
8OUV_W3R,C[C@@H](c1ccccc1)n1cc(-c2cccc3cn[nH]c23)c(=O)[nH]c1=O,GDSDISSPLLQNTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARVMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIG,posex_set/posex_self_docking_set/8OUV_W3R/8OUV_W3R_protein.pdb,posex_set/posex_self_docking_set/8OUV_W3R/8OUV_W3R_ligand_start_conf.sdf
7WKL_CAQ,Oc1ccccc1O,HMLGKIALEEAFALPRFEEKTRWWASLFSTDAETHVKEITDINKIRIEHADKHGVGYQILSYTAPGVQDIWDPVEAQALAVEINDYIAEQVRVNPDRFGAFATLSMHNPKEAADELRRCVEKYGFKGALVNDTQRAGPDGDDMIFYDNADWDIFWQTCTELDVPFYMHPRNPTGTIYEKLWADRKWLVGPPLSFAHGVSLHVLGMVTNGVFDRHPKLQIIMGHLGEHVPFDMWRINHWFEDRKKLLGLAETCKKTIRDYFAENIWITTSGHFSTTTLNFCMAEVGSDRILFSIDYPYETFSDACEWFDNAELNGTDRLKIGRENAKKLFKLDSYKDSSA,posex_set/posex_self_docking_set/7WKL_CAQ/7WKL_CAQ_protein.pdb,posex_set/posex_self_docking_set/7WKL_CAQ/7WKL_CAQ_ligand_start_conf.sdf
7VHZ_6TI,COc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1,GPSLGYCCGRKLEFSPQTLCCYGKQLCTIPRDATYYSYQNRYHFCEKCFNEIQGESVSLGDDPSQPQTTINKEQFSKRKNDTLDPELFVECTECGRKMHQICVLHHEIIWPAGFVCDGCLKKSARTRKENKFSAKRLPSTRLGTFLENRVNDFLRRQNHPESGEVTVRVVHASDKTVEVKPGMKARFVDSGEMAESFPYRTKALFAFEEIDGVDLCFFGMHVQEYGSDCPPPNQRRVYISYLDSVHFFRPKCLRTAVYHEILIGYLEYVKKLGYTTGHIWACPPSEGDDYIFHCHPPDQKIPKPKRLQEWFKKMLDKAVSERIVHDYKDIFKQATEDRLTSAKELPYFEGDFWPNVLEESIKESGGSGSQKLYATMEKHKEVFFVIRLIAGPAANSLPPIVDPDPLIPCDLMDGRDAFLTLARDKHLEFSSLRRAQWSTMCMLVELHTQSQDRF,posex_set/posex_self_docking_set/7VHZ_6TI/7VHZ_6TI_protein.pdb,posex_set/posex_self_docking_set/7VHZ_6TI/7VHZ_6TI_ligand_start_conf.sdf
7E30_CIT,O=C(O)CC(O)(CC(=O)O)C(=O)O,ANPYERGPDPTESSIEAVRGPFAVAQTTVSRLQADGFGGGTIYYPTDTSQGTFGAVAISPGFTAGQESIAWLGPRIASQGFVVITIDTITRLDQPDSRGRQLQAALDHLRTNSVVRNRIDPNRMAVMGHSMGGGGALSAAANNTSLEAAIPLQGWHTRKNWSSVRTPTLVVGAQLDTIAPVSSHSEAFYNSLPSDLDKAYMELRGASHLVSNTPDTTTAKYSIAWLKRFVDDDLRYEQFLCPAPDDFAISEYRSTCPF,posex_set/posex_self_docking_set/7E30_CIT/7E30_CIT_protein.pdb,posex_set/posex_self_docking_set/7E30_CIT/7E30_CIT_ligand_start_conf.sdf
7UQ9_CXF,O=CNC1CCCCC1,GAGSTAGKVIKCKAAVLWEEKKPFSIEEVEVAPPKAHEVRIKMVATGICRTDDHVVSGTLVTPLPVIAGHEAAGIVESIGEGVTTVRPGDKVIPLFTPQCGKCRVCKHPEGNFCLKNDLSMPRGTMQDGTSRFTCRGKPIHHFLGTSTFSQYTVVDEISVAKIDAASPLEKVCLIGCGFSTGYGSAVKVAKVTQGSTCAVFGLGGVGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATECVNPQDYKKPIQEVLTEMSNGGVDFSFEVIGRLDTMVTALSCCQEAYGVSVIVGVPPDSQNLSMNPMLLLSGRTWKGAIFGGFKSKDSVPKLVADFMAKKFALDPLITHVLPFEKINEGFDLLRSGESIRTILTF,posex_set/posex_self_docking_set/7UQ9_CXF/7UQ9_CXF_protein.pdb,posex_set/posex_self_docking_set/7UQ9_CXF/7UQ9_CXF_ligand_start_conf.sdf
9BFB_A1AN9,Cc1c(Nc2c(F)ccc(NS(=O)(=O)CCCF)c2Cl)ccc2ncn(C)c(=O)c12,MGHHHHHHGLVPRGSDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATVKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIAMVGAGALSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPK,posex_set/posex_self_docking_set/9BFB_A1AN9/9BFB_A1AN9_protein.pdb,posex_set/posex_self_docking_set/9BFB_A1AN9/9BFB_A1AN9_ligand_start_conf.sdf
7VM6_7R8,N=C(N)c1ccc2cc(O)ccc2c1,IIGGEFTTIENQPWFAAIYRRHRGGSVTYVCGGSLISPCWVISATHCFIDYPKKEDYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSADTLAHHNDIALLKIRSKEGRCAQPSRTIQTIALPSMYNDPQFGTSCEITGFGKEQSTDYLYPEQLKMTVVKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDSGGPLVCSLQGRMTLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHTKEE,posex_set/posex_self_docking_set/7VM6_7R8/7VM6_7R8_protein.pdb,posex_set/posex_self_docking_set/7VM6_7R8/7VM6_7R8_ligand_start_conf.sdf
8CNC_6D6,NCCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,SHVGRGAFSDVYEPAEDTFLLLDALEAAAAELAGVEICLEVGSGSGVVSAFLASMIGPQALYMCTDINPEAAACTLETARCNKVHIQPVITDLVKGLLPRLTEKVDLLVFNPPYVVTPPQEVGSHGIEAAWAGGRNGREVMDRFFPLVPDLLSPRGLFYLVTIKENNPEEILKIMKTKGLQGTTALSRQAGQETLSVLKFTKS|MGKLLTHNLLSSHVRGVGSRGFPLRLQATEVRICPVEFNPNFVARMIPKVEWSAFLEAADNLRLIQVPKGPVEGYEENEEFLRTMHHLLLEVEVIEGTLQCPESGRMFPISRGIPNMLLSEEETES,posex_set/posex_self_docking_set/8CNC_6D6/8CNC_6D6_protein.pdb,posex_set/posex_self_docking_set/8CNC_6D6/8CNC_6D6_ligand_start_conf.sdf
8BXC_S4R,N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1,MHHHHHHSSGVDLGTENLYFQSMDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG,posex_set/posex_self_docking_set/8BXC_S4R/8BXC_S4R_protein.pdb,posex_set/posex_self_docking_set/8BXC_S4R/8BXC_S4R_ligand_start_conf.sdf
7Z1S_NIO,O=C(O)c1cccnc1,MDNKPETSLDNPVHQRSEPGSETGSSLSTITTHHLTVPPGLTPEEFQELSSSIAEFHSYRINPGQCSSLLAQRIHAPVETVWTVVRRFDKPQTYKHFIKSCSVGEDFRMTVGSTRDVTVISGLPAATSTERLDILDDDRHVTGFSIIGGEHRLRNYRSVTTVHGFERDGEIWTVVLESYVVDVPEGNTEEDTRLFADTVVKLNLQKLASVTETLAREAGNGSVNSRDASHRS,posex_set/posex_self_docking_set/7Z1S_NIO/7Z1S_NIO_protein.pdb,posex_set/posex_self_docking_set/7Z1S_NIO/7Z1S_NIO_ligand_start_conf.sdf
7N3L_04Y,O=C(NC1CC1)C1CCN(c2cnccc2-c2ccccc2)CC1,MHHHHHHSRYEHIPGPPRPSFLLGHLPCFWKKDEVGGRVLQDVFLDWAKKYGPVVRVNVFHKTSVIVTSPESVKKFLMSTKYNKDSKMYRALQTVFGERLFGQGLVSECNYERWHKQRRVIDLAFSRSSLVSLMETFNEKAEQLVEILEAKADGQTPVSMQDMLTYTAMDILAKAAFGMETSMLLGAQKPLSQAVKLMLEGITASRNTLAKFLPGKRKQLREVRESIRFLRQVGRDWVQRRREALKRGEEVPADILTQILKAEEGAQDDEGLLDNFVTFFIAGHETSANHLAFTVMELSRQPEIVARLQAEVDEVIGSKRYLDFEDLGRLQYLSQVLKESLRLYPPAWGTFRLLEEETLIDGVRVPGNTPLLFSTYVMGRMDTYFEDPLTFNPDRFGPGAPKPRFTYFPFSLGHRSCIGQQFAQMEVKVVMAKLLQRLEFRLVPGQRFGLQEQATLKPLDPVLCTLRPRGWQPA,posex_set/posex_self_docking_set/7N3L_04Y/7N3L_04Y_protein.pdb,posex_set/posex_self_docking_set/7N3L_04Y/7N3L_04Y_ligand_start_conf.sdf
8FLZ_7IT,CNCc1ccc2c(c1)[C@@H](CC[C@H](O)CO)[C@H](CNC(=N)N)[C@H]2NC(=O)C(=O)Nc1ccc(Cl)c(F)c1,VWKEAKTTLFCASDAKAYEKEVHNVWATHACVPTDPNPQEMVLANVTENFNMWKNDMVEQMHEDIISLWDESLKPCVKLTGGSAITQACPKVSFDPIPLHYCAPAGFAILKCNNKTFNGTGPCRNVSTVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSENLTNNAKTIIVHLNESVNIVCTRPNNGGSGSGGNIRQAHCNINESKWNNTLQKVGEELAKHFPSKTIKFEPSSGGDLEITTHSFNCRGEFFYCNTSDLFNGTYRNGTYNHTGRSSNGTITLQCKIKQIINMWQEVGRAIYAPPIEGEITCNSNITGLLLLRDGGQSNETNDTETFRPGGGDMRDNWRSELYKYKVVEIK,posex_set/posex_self_docking_set/8FLZ_7IT/8FLZ_7IT_protein.pdb,posex_set/posex_self_docking_set/8FLZ_7IT/8FLZ_7IT_ligand_start_conf.sdf
8AQL_PLG,Cc1ncc(COP(=O)(O)O)c(CNCC(=O)O)c1O,SNAAQTQTGEANRGWTGQESLSDSDPEMWELLQREKDRQCRGLELIASENFCSRAALEALGSCLNNKYSEGYPGKRYYGGAEVVDEIELLCQRRALEAFDLDPAQWGVNVQPYSGSPANLAVYTALLQPHDRIMGLDLPDGGHLTHGYMSDVKRISATSIFFESMPYKLNPKTGLIDYNQLALTARLFRPRLIIAGTSAYARLIDYARMREVCDEVKAHLLADMAHISGLVAAKVIPSPFKHADIVTTTTHKTLRGARSGLIFYRKGVKAVDPKTGREIPYTFEDRINFAVFPSLQGGPHNHAIAAVAVALKQACTPMFREYSLQVLKNARAMADALLERGYSLVSGGTDNHLVLVDLRPKGLDGARAERVLELVSITANKNTCPGDRSAITPGGLRLGAPALTSRQFREDDFRRVVDFIDEGVNIGLEVKSKTAKLQDFKSFLLKDSETSQRLANLRQRVEQFARAFPMPGFDEH,posex_set/posex_self_docking_set/8AQL_PLG/8AQL_PLG_protein.pdb,posex_set/posex_self_docking_set/8AQL_PLG/8AQL_PLG_ligand_start_conf.sdf
7F4Z_ADP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,KAAAIGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIGDAAKNQVALNPQNTVFDAKRLIGRKFGDPVVQSDMKHWPFQVINDGDKPKVQVSYKGETKAFYPEEISSMVLTKMKEIAEAYLGYPVTNAVITVPAAFNDSQRQATKDAGVIAGLNVLRIINEPTAAAIAYGLDRTGKGERNVLIFDLGGGTFDVSILTIDDGIFEVKATAGDTHLGGEDFDNRLVNHFVEEFKRKHKKDISQNKRAVRRLRTACERAKRTLSSSTQASLEIDSLFEGIDFYTSITRARFEELCSDLFRSTLEPVEKALRDAKLDKAQIHDLVLVGGSTRIPKVQKLLQDFFNGRDLNKSINPDEAVAYGAAVQAAILLEHHHHHH,posex_set/posex_self_docking_set/7F4Z_ADP/7F4Z_ADP_protein.pdb,posex_set/posex_self_docking_set/7F4Z_ADP/7F4Z_ADP_ligand_start_conf.sdf
8QN5_0GA,C/C=C(\Oc1cccc(C(=O)O)c1O)C(=O)O,HMSELSVATGAVSTASSSIPMPAGVNPADLAAELAAVVTESVDEDYLLYECDGQWVLAAGVQAMVELDSDELRVIRDGVTRRQQWSGRPGAALGEAVDRLLLETDQAFGWVAFEFGVHRYGLQQRLAPHTPLARVFSPRTRIMVSEKEIRLFDAGIRHREAIDRLLATGVREVPQSRSVDVSDDPSGFRRRVAVAVDEIAAGRYHKVILSRCVEVPFAIDFPLTYRLGRRHNTPVRSFLLQLGGIRALGYSPELVTAVRADGVVITEPLAGTRALGRGPAIDRLARDDLESNSKEIVEHAISVRSSLEEITDIAEPGSAAVIDFMTVRERGSVQHLGSTIRARLDPSSDRMAALEALFPAVTASGIPKAAGVEAIFRLDECPRGLYSGAVVMLSADGGLDAALTLRAAYQVGGRTWLRAGAGIIEESEPEREFEETCEKLSTLTPYLVARQ,posex_set/posex_self_docking_set/8QN5_0GA/8QN5_0GA_protein.pdb,posex_set/posex_self_docking_set/8QN5_0GA/8QN5_0GA_ligand_start_conf.sdf
7YZU_DO7,CO[C@H]1O[C@H](CS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O,MDAELKIFVSSQHQPDIWRKALDQYEAKTPGVKVVIETGGNTSEMQAQYLNTVMSAKDSSLDVLMLDVIRPAQFATAGWTSDFSGKDLSAYLPTYAEANTVNGKIVALPAFADSMFLYYRKDLLDKYGIKPPTTWDELKEASKKVMEGEKNPELQGLSFQGKAIEGAVCTFLLPYWSEGKSLVENGKLNFDNKAAVDSLKLWKSFVDDGISKKNISEVATDDTRKEFQAGKVLFAVNWSYAWTHFQGKESQVNDKVGVARLPAVKGGEQTTCLGGWEFGVSAYSKQQDEAKKLVEYLSSQDVSKFMAINAALLPTYAALYKDADVTKTIPWFADALPVVETAKARPVTPRYNEVSETIRTTVNGVLAGVMTPEDGAKQMESRLRRVLRLEHHHHHH,posex_set/posex_self_docking_set/7YZU_DO7/7YZU_DO7_protein.pdb,posex_set/posex_self_docking_set/7YZU_DO7/7YZU_DO7_ligand_start_conf.sdf
7UXS_OJC,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]3O[C@@H](O[C@H]2[C@H]1O)[C@H](O)[C@@H]3O,SNATVFLSGSAVEYNHWETEHAEQFIHQLSKELIRKDFNIVSGFGLGVGSFVINGVLEELYMNQGTIDDDRLILRPFPQGKKGEEQWDKYRRDMITRTGVSIFLYGNKIDKGQVVKAKGVQSEFNISFEQNNYVVPVGATGYIAKDLWNKVNEEFETYYPGADARMKKLFGELNNEALSIEELINTIIEFVEILSN,posex_set/posex_self_docking_set/7UXS_OJC/7UXS_OJC_protein.pdb,posex_set/posex_self_docking_set/7UXS_OJC/7UXS_OJC_ligand_start_conf.sdf
7X5N_5M5,Cc1n[nH]c2c1[C@](c1cc(CO)cc(-c3ccccc3)c1)(C(C)C)C(C#N)=C(N)O2,GPGVVDYKTFDPDLWAAIAKEEERQEHNLELIASENFVSEAVMAAQGSILTNKYAEGYPGHRYYGGCEFVDIVENLAIDRAKELFGAKFANVQPHSGSQANTAAYLALVEPGDTILGMDLSAGGHLTHGSPVNFSGKTYHFVAYGVDPTTEVIDYNVVRILARKHQPKLIVAGASAYGRTIDFAKFREIADEVGAKLMVDMAHIAGLVAAGLHPNPVPYADITTTTTHKTLRGPRGGMILTNDEALAKKINSAVFPGIQGGPLEHVIAGKAVAFKEALDPAFKEYSEQIIANAKAMVKVFNQAIGTRVISGATDNHLMLIDVRELGINGKEAESILDSVNITVNKNSIPFETLSPFKTSGIRIGTPAITTRGFKEEDAVKVAELVVKALQAKDDNAQLDEVKTGVRELTEKFPLHKK,posex_set/posex_self_docking_set/7X5N_5M5/7X5N_5M5_protein.pdb,posex_set/posex_self_docking_set/7X5N_5M5/7X5N_5M5_ligand_start_conf.sdf
7L8N_MLI,O=C([O-])CC(=O)[O-],QQLSDDEKLVAAFVKAVAYMSPRKIGALVSIEETQTLREYIATGIPLDADISGELLINIFIPNTPLHDGAVIVEGNKIAVSCAYLPLSESSHISKEFGTRHRAAIGLSEASDAFTFVVSEETGAISVAYKGDFIHDLSLEAFEVLLREHFI,posex_set/posex_self_docking_set/7L8N_MLI/7L8N_MLI_protein.pdb,posex_set/posex_self_docking_set/7L8N_MLI/7L8N_MLI_ligand_start_conf.sdf
7ZTV_DHT,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,PIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWAKALPGFRNLHVDDQMAVIQYSWMGLMVFAMGWRSLTNVNSRMLYFAPDLVFNEYRMHKSRMYSQCVRMRHLSQEFGWLQITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELDRIIACKRKNPTSCSRRFYQLTKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSGKVKPIYFHTQ,posex_set/posex_self_docking_set/7ZTV_DHT/7ZTV_DHT_protein.pdb,posex_set/posex_self_docking_set/7ZTV_DHT/7ZTV_DHT_ligand_start_conf.sdf
8S04_A1H4I,CS(=O)(=O)Nc1cccc2cc[nH]c12,HMTSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGAVTHIKIQNTGDYYDLYGGEKFATLAELVQYYMEHHGQLKEKNGDVIELKYPLNCADPTSERWFHGHLSGKEAEKLLTEKGKHGSFLVRESQSHPGDFVLSVRTGDDKGESNDGKSKVTHVMIRCQELKYDVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPLNTTRINAAEIESRVRELSKLAETTDKVKQGFWEEFETLQQQECKLLYSRKEGQRQENKNKNRYKNILPFDHTRVVLHDGDPNEPVSDYINANIIMPEFETKCNNSKPKKSYIATQGCLQNTVNDFWRMVFQENSRVIVMTTKEVERGKSKCVKYWPDEYALKEYGVMRVRNVKESAAHDYTLRELKLSKVGQGNTERTVWQYHFRTWPDHGVPSDPGGVLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIREKGVDCDIDVPKTIQMVRSQRSGMVQTEAQYRFIYMAVQHYIETLQRRLEHHHHHH,posex_set/posex_self_docking_set/8S04_A1H4I/8S04_A1H4I_protein.pdb,posex_set/posex_self_docking_set/8S04_A1H4I/8S04_A1H4I_ligand_start_conf.sdf
8F8E_XJI,NC(=O)C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1F)c1ccc(F)c(Cl)c1,GASAFRPISVFREANEDESGFTCCAFSARERFLMLGTCTGQLKLYNVFSGQEEASYNCHNSAITHLEPSRDGSLLLTSATWSQPLSALWGMKSVFDMKHSFTEDHYVEFSKHSQDRVIGTKGDIAHIYDIQTGNKLLTLFNPDLANNYKRNCATFNPTDDLVLNDGVLWDVRSAQAIHKFDKFNMNISGVFHPNGLEVIINTEIWDLRTFHLLHTVPALDQCRVVFNHTGTVMYGAMLQADDEDDLMEERMKSPFGSSFRTFNATDYKPIATIDVKRNIFDLCTDTKDCYLAVIENQGSMDALNMDTVCRLYEVG,posex_set/posex_self_docking_set/8F8E_XJI/8F8E_XJI_protein.pdb,posex_set/posex_self_docking_set/8F8E_XJI/8F8E_XJI_ligand_start_conf.sdf
8FWZ_YCE,O=c1[nH]cnc2c(CNC[C@@H](O)CP(=O)(O)O)c[nH]c12,MISSQQAMVHVVSRNAEGVIVVDGKAYPMAEELVATESVIQRSIKAVAKQIADFYRPLSHRDTHGGGGVAPISDENPLIIISVLKGSYIFTADMVRYLGDYGLPHVVDFLRVASYRGTSSTNKMQLLAETQFKALRGKHVLILEDIVDSGKTLRYILDKVQREHQPATLKVCVLADKPGGRRVTMQPDFVCLTVPNKYVIGYGFEVNDRFRCFRHIFTLRPGEARRYPAHL,posex_set/posex_self_docking_set/8FWZ_YCE/8FWZ_YCE_protein.pdb,posex_set/posex_self_docking_set/8FWZ_YCE/8FWZ_YCE_ligand_start_conf.sdf
8CRV_OO9,O=P(O)(O)OO,SNAMRIVVALGGNALLRRGEPMTADNQRENVRIAAEQIAKVAPGNELVIAHGNGPQVGLLALQGAAYDKVSPYPLDVLGAETEGMIGYMIEQEMGNLLPFEVPFATILTQVEVDGKDPAFQNPTKPIGPVYSREEAERLAAEKGWSITPDGDKFRRVVPSPRPKRIFEIRPVKWLLEKGTIVICAGGGGIPTMYDEAGKKLSGVEAVIDKDLCSSLLAQELVADILIIATDVDAAYVDWGKPTQKAIAQAHPDELERLGFAAGSMGPKVQAAIEFARATGKDAVIGSLADIVAITEGKAGTRVSTRKAGIEYR,posex_set/posex_self_docking_set/8CRV_OO9/8CRV_OO9_protein.pdb,posex_set/posex_self_docking_set/8CRV_OO9/8CRV_OO9_ligand_start_conf.sdf
9GBE_A1IJ8,CCn1nc(Cl)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1-c1nn(C)cc1C2,GMQMELQSPEYKLSKLRTSTIMTDYNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILMELMAGRDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKV,posex_set/posex_self_docking_set/9GBE_A1IJ8/9GBE_A1IJ8_protein.pdb,posex_set/posex_self_docking_set/9GBE_A1IJ8/9GBE_A1IJ8_ligand_start_conf.sdf
8R2B_XN0,COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@](C)(O)[C@H]2OC)C[C@]1(C)O)C(=O)c1c(O)cccc1C3=O,MAHHHHHHRSSTTANKERCLEMVAAWNRWDVSGVVAHWAPDVVHYDDEDKPVSAEEVVRRMNSAVEAFPDLRLDVRSIVGEGDRVMLRITCSATHQGVFMGIAPTGRKVRWTYLEELRFSEAGKVVEHWDVFNFSPLFRDLGVVPDGL,posex_set/posex_self_docking_set/8R2B_XN0/8R2B_XN0_protein.pdb,posex_set/posex_self_docking_set/8R2B_XN0/8R2B_XN0_ligand_start_conf.sdf
7VEU_ADA,O=C(O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,AAFTQAPMLEQNKQLPPVDQRLPEKPLVIKPIASNGVYGGTLRTVMRGNADGNGILRTIGPQGLTHWTQDIQTVEPYVAESYTVSPDAMEYTFKLRKGMKWSDGTPFTADDIVFAMNDVVLNKEMFPQTPSAYLVGGKAPKVSKVDDYTVKFEFPAANLSFPETLATPLGQHPTLYQKKYCSQFHPAYNKNVQAEFTKANVKDWPSLMRAKCSDIELPSRWSSTERPSIDPWLIKEPYGGAVTRVVMERNPFYWQVDPTGKQLPYVDRIQYAVVSDLQAIILAATNGQYDIEARLLGSDVTSRPLMLKNQQKGGYKVFGQTSANANAAGLWLNQTTKNEKLRKYMTQHDFRQALSLAMDRDEINKVAWLGQAAPWQSGPFKESKWYNEKLATQYLKLDLAQANQILDRLGLTKRDSDGYRTYPDGGRVSLDAIVMIDRQAMVQTLELIRRQWQKAGVELVIKGSERSLFYNRATANDYDISIDVFPGGLDATLNPRAYVAVHPLESRMSLEWAKWYLSGGKQGIEPNESMKKRMALYDQFVAAKTQSQALSLFKQILQISADEFEVIGTVRPAVISSLHSLKLQNVNEKMPFGWPYATPSLSLPQQWYFSKLEHHHHHH,posex_set/posex_self_docking_set/7VEU_ADA/7VEU_ADA_protein.pdb,posex_set/posex_self_docking_set/7VEU_ADA/7VEU_ADA_ligand_start_conf.sdf
8Q1F_B16,O=P(O)(O)OC[C@H]1O[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O,MFKAVLFDLNGVITDTAEYHFRAWKALAEEIGINGVDRQFNEQLKGVSREDSLQKILDLADKKVSAEEFKELAKRKNDNYVKMIQDVSPADVYPGILQLLKDLRSNKIKIALASASKNGPFLLERMNLTGYFDAIADPAEVAASKAAPDIFIAAAHAVGVAPSESIGLEDSQAGIQAIKDSGALPIGVGRPEDLGDDIVIVPDTSHYTLEFLKEVWLQKQK,posex_set/posex_self_docking_set/8Q1F_B16/8Q1F_B16_protein.pdb,posex_set/posex_self_docking_set/8Q1F_B16/8Q1F_B16_ligand_start_conf.sdf
8SXY_MJ3,CC(=O)N[C@@H]1[C@@H](O[P@@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1NC(C)=O,MWVKILSVVGARPQFIKAAAVSRVLRASPGVREVLVHTGQHYDDNMSQVFFEELEIPDPDYHLGIGGGTHGQNTGRMLEAIEGVLLKEKPDWVLVYGDTDSTLAGALAAVKLHIPVAHVEAGLRSFNRRMPEEINRILTDHASDLLFAPTETAVQNLLREGIPENRIHLVGDVMYDAALHYGAKAERKSRILERLGLQAKGYVLATIHRAENTDDQERLRVILEALAEVHQEVPVVFPVHPRTRKRAEAFGLGSYLEKVVALEPVGYLDMVMLEKNARLIVTDSGGVQKEAYFYRVPCVTVREETEWVELLKAEWNYLAAPQNAKDLALTILHRMRTKGVEIDLYGDGRASQKISDFLRKVGIRTLEHHHHHH,posex_set/posex_self_docking_set/8SXY_MJ3/8SXY_MJ3_protein.pdb,posex_set/posex_self_docking_set/8SXY_MJ3/8SXY_MJ3_ligand_start_conf.sdf
7M6C_DAO,CCCCCCCCCCCC(=O)O,MRTLWIMAVLLVGVEGSLVELGKMILQETGKNPVTSYGAYGCNCGVLGRGKPKDATDRCCSVHKCCYKKMTGCNPKKDRYSYSWKDKTIVCDENNPCLKELCECDKAVAICLRENLDTYNEKYKKYYKKPLCKKADPC,posex_set/posex_self_docking_set/7M6C_DAO/7M6C_DAO_protein.pdb,posex_set/posex_self_docking_set/7M6C_DAO/7M6C_DAO_ligand_start_conf.sdf
7VKF_LGC,O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,MKNTTTYDYIVVGGGTSGLVVANRLSENPDVSVLLLEAGASVFNNPDVTNANGYGLAFGSAIDWQYQSINQSYAGGKQQVLRAGKALGGTSTINGMAYTRAEDVQIDVWQKLGNEGWTWKDLLPYYLKSENLTAPTSSQVAAGAAYNPAVNGKEGPLKVGWSGSLASGNLSVALNRTFQAAGVPWVEDVNGGKMRGFNIYPSTLDVDLNVREDAARAYYFPYDDRKNLHLLENTTANRLFWKNGSAEEAIADGVEITSADGKVTRVHAKKEVIISAGALRSPLILELSGVGNPTILKKNNITPRVDLPTVGENLQDQFNNGMAGEGYGVLAGASTVTYPSISDVFGNETDSIVASLRSQLSDYAAATVKVSNGHMKQEDLERLYQLQFDLIVKDKVPIAEILFHPGGGNAVSSEFWGLLPFARGNIHISSNDPTAPAAINPNYFMFEWDGKSQAGIAKYIRKILRSAPLNKLIAKETKPGLSEIPATAADEKWVEWLKANYRSNFHPVGTAAMMPRSIGGVVDNRLRVYGTSNVRVVDASVLPFQVCGHLVSTLYAVAERASDLIKEDAKSA,posex_set/posex_self_docking_set/7VKF_LGC/7VKF_LGC_protein.pdb,posex_set/posex_self_docking_set/7VKF_LGC/7VKF_LGC_ligand_start_conf.sdf
7TM6_GPJ,O=C(O)C[NH2+]CP(=O)(O)O,MAHHHHHHMESLTLQPIARVEGTVNLPGSKSVSNRALLLAALARGTTVLTNLLDSDDVRHMLNALSALGVQYTLSADRTRCEVTGNGGPLRSAAALELFLGNAGTAMRPLAAALCLGSNDIVLTGEPRMKERPIGHLVDALRQGGAQIDCLEQENYPPLRLRGGFQGGNVEVDGSVSSQFLTALLMTAPLAPQDTVIVIKGDLVSKPYIDITLHLMKTFGVEVDNQSYQRFVVRGKQQYQSPGDYLVEGDASSASYFLAAGAIKGGTVKVTGIGRNSVQGDIRFADVLEKMGATVTWGDDFIACTHGELKAVDMDMNHIPDAAMTIATAALFAQGTTTLRNIYNWRVKETDRLFAMATELRKVGAEVEEGEDYIRITPPAKLKYAEIGTYNDHRMAMCFSLVALSDTPVTILDPKCTAKTFPDYFEQLARISTLA,posex_set/posex_self_docking_set/7TM6_GPJ/7TM6_GPJ_protein.pdb,posex_set/posex_self_docking_set/7TM6_GPJ/7TM6_GPJ_ligand_start_conf.sdf
7M3H_YPV,CCCCc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1,MLLERPQQKKNSRFYQMSPEERLASLLNEGQISADTKKEFENTALSSQIANHMIENQISETEVPMGVGLHLTVDETDYLVPMATEEPSVIAALSNGAKIAQGFKTVNQQRLMRGQIVFYDVADPESLIDKLQVREAEIFQQAELSYPSIVKRGGGLRDLQYRAFDESFVSVDFLVDVKDAMGANIVNAMLEGVAELFREWFAEQKILFSILSNYATESVVTMKTAIPVSRLSKGSNGREIAEKIVLASRYASLDPYRAVTHNKGIMNGIEAVVLATGNDTRAVSASCHAFAVKEGRYQGLTSWTLDGEQLIGEISVPLALATVGGATKVLPKSQAAADLLAVTDAKELSRVVAAVGLAQNLAALRALVSEGIQKGHMALQARSLAMTVGATGKEVEAVAQQLKRQKTMNQDRALAILNDLRKQ,posex_set/posex_self_docking_set/7M3H_YPV/7M3H_YPV_protein.pdb,posex_set/posex_self_docking_set/7M3H_YPV/7M3H_YPV_ligand_start_conf.sdf
7UAW_MF6,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]3O[C@@H](O[C@@H]1[C@@H]2O)[C@H](O)[C@@H]3O,SMKELSTIQKREKLNTVERIGSEGPGGAYHEYVIKSNSMDSQGNYDVYETIKFQKGARKEEKSQHGVIDSDLLEIVRDRLKSFQAGPFSSRENACALTHVEEALMWMNRRVEDRIERNVLGTNTK,posex_set/posex_self_docking_set/7UAW_MF6/7UAW_MF6_protein.pdb,posex_set/posex_self_docking_set/7UAW_MF6/7UAW_MF6_ligand_start_conf.sdf
8K2E_VIM,O=C(O)c1c(Cl)cccc1Oc1ccc(F)cc1,GSTSKLKYVLQDARFFLIKSNNHENVSLAKAKGVWSTLPVNEKKLNLAFRSARSVILIFSVRESGKFQGFARLSSESHHGGSPIHWVLPAGMSAKMLGGVFKIDWICRRELPFTKSAHLTNPWNEHKPVKIGRDGQEIELECGTQLCLLFPPDESIDLYQVIHKM,posex_set/posex_self_docking_set/8K2E_VIM/8K2E_VIM_protein.pdb,posex_set/posex_self_docking_set/8K2E_VIM/8K2E_VIM_ligand_start_conf.sdf
8GDL_SRO,NCCc1c[nH]c2ccc(O)cc12,SGTGSDDLKFVFVMARGGDFVAGDYAGGPKIINKEAKDSELTEQGKQEAFQLGTKLSGLYKTKLGVSKWDSKTYWPVAISQKRAQVSTLITGAGLEGDQSKRDKTWTDQELKATSFPAMESFSRFIKPSECPNYLKELLAQQGEITTIVKECISSVQQVKSKYPAVDEKMPQHIWLAYETLKKLKRQQPSSSTWMTDDLMKNLRECSAKITWLATTKTDTLRKLSGGLLLNDLFNDMDQITQGKAQPNAPGGKDSKLNVFTVSQFLVISQLAAFMPEGSKLNNKAVTASDIYPEDGSHVDIEMYQENNKWSVKLVYVSGKDKQPQTITLPGCQEKCPYEQFKSALQKYKITDEEHQKACKN,posex_set/posex_self_docking_set/8GDL_SRO/8GDL_SRO_protein.pdb,posex_set/posex_self_docking_set/8GDL_SRO/8GDL_SRO_ligand_start_conf.sdf
9F2I_A1H88,Nc1nc2ccc(O)cc2s1,GSKKPRQKRTATKAYNVTQAFGRRGPEQTQGNFGDQELIRQGTDYKHWPQIAQFAPSASAFFGMSRIGMEVTPSGTWLTYTGAIKLDDKDPNFKDQVILLNKHIDAYKTFP,posex_set/posex_self_docking_set/9F2I_A1H88/9F2I_A1H88_protein.pdb,posex_set/posex_self_docking_set/9F2I_A1H88/9F2I_A1H88_ligand_start_conf.sdf
8YIF_A1L2I,CO[C@H]1O[C@H](C)[C@@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,MSHTIERPSRLDTARRAFSWRDAVVYQVYLRSFRDANGDGIGDLGGLSQGLDAIAALGCDAIWLNPCYASPQRDHGYDIADYLTIDPAYGTLEEFDEVVRRAHELGLRVLMDMVANHCSSDHAWFQAALAAEPGSDERARFIFRDGLGPDGELPPNNWDSVFGGLAWTRVTERDGRPGQWYLHSFDTSQPDFDWRHPAVAEHFENVLRFWFERGVDGFRIDVAHGHFKDAALPDHPGGRGPDAGHNHGMWDQPEVHDLYRSWRALGDAYEPEKYFVGEIWVPSPDRLADYLRPDELHNAFSFDLLVQPWNADRFRKAIETGLAVGRGWPAWTLANHDVHRAVTRYGQEQPLDEALPTDMIAAARRRGPADLDRGLRRARAAAALALALPGSMYLYQGEELGLPEVLDLPDAARQDPIWTRSNGTELGRDGCRIPLPWTREGRTFGFSDAAAATTWLPQPAWFGAFARATQAADPDSMLSLHRDLLATRRTHLRGTEPIVWLSPAGAEVLAFRRGDVVVVTNFGSAPFTPPSAWGALSPLLASQPLTGSATVPPETTVWSRLHRGVAALEHHHHHH,posex_set/posex_self_docking_set/8YIF_A1L2I/8YIF_A1L2I_protein.pdb,posex_set/posex_self_docking_set/8YIF_A1L2I/8YIF_A1L2I_ligand_start_conf.sdf
7UU0_QJ1,COC(=O)N1CCS[C@H](c2cccs2)CC1,MHHHHHHSSGVDLGTENLYFQSMGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_self_docking_set/7UU0_QJ1/7UU0_QJ1_protein.pdb,posex_set/posex_self_docking_set/7UU0_QJ1/7UU0_QJ1_ligand_start_conf.sdf
7QHZ_CI5,CC[C@H](NC(=O)[C@H]1CN(c2ccc(C(=N)N)cc2)C(=O)O1)c1cccc2ccccc12,LVHGGPCDKTSHPYQAALYTSGHLLCGGVLIHPLWVLTAAHCKKPNLQVFLGKHNLGQQESSQEQSSVVRAVIHPDYDAASHDQDIMLLRLARPAKLSELIQPLPLERDCSAQTTSCHILGWGKTADGDFPDTIQCAYIHLVSREECEHAYPGQITQNMLCAGDEKYGKDSCQGDSGGPLVCGDHLRGLVSWGNIPCGSKEKPGVYTNVCRYTNWIQKTIQAK,posex_set/posex_self_docking_set/7QHZ_CI5/7QHZ_CI5_protein.pdb,posex_set/posex_self_docking_set/7QHZ_CI5/7QHZ_CI5_ligand_start_conf.sdf
7F1G_0QQ,C[C@H]1SC(N)=N[C@](C)(c2cc(NC(=O)c3cc4c(cn3)OCCO4)ccc2F)[C@H]1F,ANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPA|AQVQLQESGGGLVQPGGSLRLSCAASGFTFSSAIMTWVRQAPGKGREWVSTIGSDGSITTYADSVKGRFTISRDNARNTLYLQMNSLKPEDTAVYYCTSAGRRGPGTQVTVSS,posex_set/posex_self_docking_set/7F1G_0QQ/7F1G_0QQ_protein.pdb,posex_set/posex_self_docking_set/7F1G_0QQ/7F1G_0QQ_ligand_start_conf.sdf
7Q4R_8X6,NC(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1,GPLGSMAKAAAIGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIGDAAKNQVALNPQNTVFDAKRLIGRKFGDPVVQSDMKHWPFQVINDGDKPKVQVSYKGETKAFYPEEISSMVLTKMKEIAEAYLGYPVTNAVITVPAYFNDSQRQATKDAGVIAGLNVLRIINEPTAAAIAYGLDRTGKGERNVLIFDLGGGTFDVSILTIDDGIFEVKATAGDTHLGGEDFDNRLVNHFVEEFKRKHKKDISQNKRAVRRLRTACERAKRTLSSSTQASLEIDSLFEGIDFYTSITRARFEELCSDLFRSTLEPVEKALRDAKLDKAQIHDLVLVGGSTRIPKVQKLLQDFFNGRDLNKSINPDEAVAYGAAVQAAILIKSTRAAAS,posex_set/posex_self_docking_set/7Q4R_8X6/7Q4R_8X6_protein.pdb,posex_set/posex_self_docking_set/7Q4R_8X6/7Q4R_8X6_ligand_start_conf.sdf
8QMZ_W6O,Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](C(=O)NCc4ccc(Cl)cc4Cl)C[C@H]3C2)cc1,MGSSHHHHHHSSGLVPRGSHMASMLNTPAPLPTSCNPSDMSHGYVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCKEMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYPERVRAVASLNTPFIPANPNMSPLESIKANPVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMHKVCEAGGLFVNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACKSLGRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMDKPTEVNQILIKWLDSDARNPPVVSKMLLEHHHHHH,posex_set/posex_self_docking_set/8QMZ_W6O/8QMZ_W6O_protein.pdb,posex_set/posex_self_docking_set/8QMZ_W6O/8QMZ_W6O_ligand_start_conf.sdf
7EGO_J3R,CN(CCC(=O)O)c1ccc([N+](=O)[O-])c2nonc12,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_self_docking_set/7EGO_J3R/7EGO_J3R_protein.pdb,posex_set/posex_self_docking_set/7EGO_J3R/7EGO_J3R_ligand_start_conf.sdf
7MY1_IPE,C=C(C)CCO[P@@](=O)(O)OP(=O)(O)O,MGSSHHHHHHSSGLVPRGSHMMVAQQTRTDFDLAQYLQVKKGVVEAALDSSLAIARPEKIYEAMRYSLLAGGKRLRPILCITACELCGGDEALALPTACALEMIHTMSLIHDDLPSMDNDDFRRGKPTNHKVYGEDIAILAGDGLLAYAFEYVVTHTPQADPQALLQVIARLGRTVGAAGLVGGQVLDLESEGRTDITPETLTFIHTHKTGALLEASVLTGAILAGATGEQQQRLARYAQNIGLAFQVVDDILDITATQEELGKTAGKDVKAQKATYPSLLGLEASRAQAQSLIDQAIVALEPFGPSAEPLQAIAEYIVARKY,posex_set/posex_self_docking_set/7MY1_IPE/7MY1_IPE_protein.pdb,posex_set/posex_self_docking_set/7MY1_IPE/7MY1_IPE_ligand_start_conf.sdf
7WW5_8DG,Nc1nc2c([nH]c(=O)n2[C@H]2C[C@H](O)[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1,MKKLQIAVGIIRNENNEIFITRRAADAHMANKLEFPGGKIEMGETPEQAVVRELQEEVGITPQHFSLFEKLEYEFPDRHITLWFWLVERWEGEPWGKEGQPGEWMSLVGLNADDFPPANEPVIAKLKRL,posex_set/posex_self_docking_set/7WW5_8DG/7WW5_8DG_protein.pdb,posex_set/posex_self_docking_set/7WW5_8DG/7WW5_8DG_ligand_start_conf.sdf
8RGK_GOQ,COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3,MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGL,posex_set/posex_self_docking_set/8RGK_GOQ/8RGK_GOQ_protein.pdb,posex_set/posex_self_docking_set/8RGK_GOQ/8RGK_GOQ_ligand_start_conf.sdf
7NTB_URH,NS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)c3ccccc3)cc2)cc1,SHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK,posex_set/posex_self_docking_set/7NTB_URH/7NTB_URH_protein.pdb,posex_set/posex_self_docking_set/7NTB_URH/7NTB_URH_ligand_start_conf.sdf
7Z6C_IEQ,Cc1cc(NC(=O)c2c(O)nn3ccccc23)c(C(C)C)cc1Oc1ccccc1,ATGDERFYAEHLMPTLQGLLDPESAHRLAVRFTSLGLLPRARFQDSDMLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSVTPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVNLGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSLQGKAELRRLLTKVLQERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGFGGVTDAIGADHRR,posex_set/posex_self_docking_set/7Z6C_IEQ/7Z6C_IEQ_protein.pdb,posex_set/posex_self_docking_set/7Z6C_IEQ/7Z6C_IEQ_ligand_start_conf.sdf
7ZB3_IVG,O=C[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,MELYRDPSQPIEVRVRDLLSRMTLEEKVAQLGSVWGYELIDERGKFSREKAKELLKNGIGQITRPGGSTNLEPQEAAELVNEIQRFLVEETRLGIPAMIHEECLTGYMGLGGTNFPQAIAMASTWDPDLIEKMTTAVREDMRKIGAHQGLAPVLDVARDPRWGRTEETFGESPYLVARMGVSYVKGLQGEDIKKGVVATVKHFAGYSASEGGKNWAPTNIPEREFKEVFLFPFEAAVKEANVLSVMNSYSEIDGVPCAANRKLLTDILRKDWGFEGIVVSDYFAVKVLEDYHRIARDKSEAARLALEAGIDVELPKTECYQYLKDLVEKGIISEALIDEAVTRVLRLKFMLGLFENPYVEVEKAKIESHRDIALEIARKSIILLKNDGILPLQKNKKVALIGPNAGEVRNLLGDYMYLAHIRALLDNIDDVFGNPQIPRENYERLKKSIEEHMKSIPSVLDAFKEEGIEFEYAKGCEVTGEDRSGFEEAIEIAKKSDVAIVVVGDKSGLTLDCTTGESRDMANLKLPGVQEELVLEVAKTGKPVVLVLITGRPYSLKNVVDKVNAILQVWLPGEAGGRAIVDIIYGKVNPSGKLPISFPRSAGQIPVFHYVKPSGGRSHWHGDYVDESTKPLFPFGHGLSYTKFEYSNLRIEPKEVPPAGEVVIKVDVENIGDRDGDEVVQLYIGREFASVTRPVKELKGFKRVSLKAKEKKTVVFRLHMDVLAYYNRDMKLVVEPGEFKVMVGSSSEDIRLTGSFSVVGEKREVVGMRKFFTEACEEAAALEENLYFQGAHHHHHHHHHH,posex_set/posex_self_docking_set/7ZB3_IVG/7ZB3_IVG_protein.pdb,posex_set/posex_self_docking_set/7ZB3_IVG/7ZB3_IVG_ligand_start_conf.sdf
9B06_LCZ,CC(C)C[C@H](N)C=O,ESTEAPWVTIVWDDPVNLMSYVTYVFQKLFGYSEPHATKLMLQVHNEGKAVVSAGSRESMEVDVSKLHAAGLWATMQQDR,posex_set/posex_self_docking_set/9B06_LCZ/9B06_LCZ_protein.pdb,posex_set/posex_self_docking_set/9B06_LCZ/9B06_LCZ_ligand_start_conf.sdf
7EO3_TRS,[NH3+]C(CO)(CO)CO,GSSVPAYSGWTLVWADDFTGPAGSLPSSENWIFDTGHSYPGGPDNWGTGEIQRYTDDPANVSLDGNGNLRITPLRSASGEWTSARIETRRADFKPAPGGVLRIEARIQLPNVTGEAALGYWPAFWALGSPYRGDYWNWPRIGEFDIMENVNGLNRVWGVLHCGVAPGGPCNEYDGLGNSRECPGTTCQAGMHTYRFEWDTSRSPNELRWYVDGQHYHTIRQDQLDATTWSNMTGHGGYFLLLNVAMGGAFPDGVAGHATPTSATVPGRSMIVDYVGVWQSGGD,posex_set/posex_self_docking_set/7EO3_TRS/7EO3_TRS_protein.pdb,posex_set/posex_self_docking_set/7EO3_TRS/7EO3_TRS_ligand_start_conf.sdf
7ULJ_42C,CN(C)c1ncnc2nc[nH]c12,GSHMPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLTDPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSAGGSFTVRADHGEPIGRGTKVILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYLE,posex_set/posex_self_docking_set/7ULJ_42C/7ULJ_42C_protein.pdb,posex_set/posex_self_docking_set/7ULJ_42C/7ULJ_42C_ligand_start_conf.sdf
8CB3_MPO,O=S(=O)(O)CCCN1CCOCC1,EEPVNQFTGYLKLTDNVAIKCVDIVKEAQSANPMVIVNAANIHLKHGGGVAGALNKATNGAMQKESDDYIKLNGPLTVGGSCLLSGHNLAKKCLHVVGPNLNAGEDIQLLKAAYENFNSQDILLAPLLSAGIFGAKPLQSLQVCVQTVRTQVYIAVNDKALYEQVVMDYLDNLK,posex_set/posex_self_docking_set/8CB3_MPO/8CB3_MPO_protein.pdb,posex_set/posex_self_docking_set/8CB3_MPO/8CB3_MPO_ligand_start_conf.sdf
8WYW_XFB,Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(C(=O)C3CC3)cn4C)n2)cc1CN1C[C@H](O)CO1,MALEEIRPKEVYLDRKLLTLEDKELGSGNFGTVKKGYYQMKKVVKTVAVKILKNEANDPALKDELLAEANVMQQLDNPYIVRMIGICEAESWMLVMEMAELGPLNKYLQQNRHVKDKNIIELVHQVSMGMKYLEESNFVHRDLAARNVLLVTQHYAKISDFGLSKALRADENYYKAQTHGKWPVKWYAPECINYYKFSSKSDVWSFGVLMWEAFSYGQKPYRGMKGSEVTAMLEKGERMGCPAGCPREMYDLMNLCWTYDVENRPGFAAVELRLRNYYYDVVNLEHHHHHHHH,posex_set/posex_self_docking_set/8WYW_XFB/8WYW_XFB_protein.pdb,posex_set/posex_self_docking_set/8WYW_XFB/8WYW_XFB_ligand_start_conf.sdf
7P4C_5OV,O=S1(=O)N[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)[C@@H]2O1,MNPVKREIHPDAVFYKEHKLRNDGLVITTNQGNIRLQFKSEAAIEVLYRADSKQLPSFALAQPESAIKAQLTETENHLQFSGGTLTARIQKRPFAISYYRDSELLLAEESGFQVNTDKINFRFYLSPGEKILGGGQRILGMDRRGQRFPLYNRAHYGYSDHSGQMYFGLPAIMSSKQYILVFDNSASGAMDIGKTESDILQLEAKSGRSAYILVAGNSYPSLIENFTQVTGRQPLPPRWALGSFASRFGYRSEAETRATVQKYKTEDFPLDTIVLDLYWFGKDIKGHMGNLDWDKENFPTPLDMMADFKQQGVKTVLITEPFVLTSSKRWDDAVKAKALAKDPQGQPKAFELYFGNGGIIDVFSKEGSRWFSSIYKDLSKQGVAGWWGDLGEPEMHPEDTQHAIGDADTVHNAYGHRWAEMLYQQQLDQFPELRPFIMMRAGFVGSQRYGMIPWTGDVSRTWGGLASQVELALQMSLLGFGYIHSDLGGFADGETLDKEMYIRWLQYGVFQPVYRPHGQDHIPSEPVFQDEETKAILRPLVKLRYRMLPYIYTAAYQNTLTGMPLMRPLFFSDEKNPALIDNKTSYFWGDSLLVTPITQAGVESVSIPAPKGVWFDFWKDTRYQTDGAPLTLPTDLHTIPVLVKAGAFMPYVPAVSTTEDYRSDSLEIHYYADASVPLAQGEIFEDDGKDPNSIKRNQFDLLTLQATHTDNQLHFQLARTGKGYRGMPERRATTLVIHNASDQYQHLDINGKTIAIAQADCASTPALACYDQERRQLQLVFTWGREALNLRLHKGGRADPAFLYKVVINSKLEGKPIPNPLLGLDSTRTGHHHHHH,posex_set/posex_self_docking_set/7P4C_5OV/7P4C_5OV_protein.pdb,posex_set/posex_self_docking_set/7P4C_5OV/7P4C_5OV_ligand_start_conf.sdf
8PNX_PMP,Cc1ncc(COP(=O)(O)O)c(CN)c1O,MNEQRSVAVWRDGAAVTVPAHQPVVTAFDLGLGRGDGIFESVAVVAGRTPHLAAHLTRLTRSAALLGLPAPGDQAWMEMVAAVLADWPAALEGVCRLFLTRGLGDGTPPTALALLAPVPADTLRQRAEGISVATLGLGVPADFRAGAPWLLGGAKTLSYAVNMAAQRHAHDLGADDVVFTSLEGRLLEGPTSTVVWAAGGTLHTPPVETGILPGTTQARLFTAAAADGWPTSVTPGTVDDLHAADAVWLLSGVRGAAVVHTVDGVRRGDGDLSRRVRELLA,posex_set/posex_self_docking_set/8PNX_PMP/8PNX_PMP_protein.pdb,posex_set/posex_self_docking_set/8PNX_PMP/8PNX_PMP_ligand_start_conf.sdf
8OUK_GTP,Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,MKTTVKVAWVGLDYAGKSTIIKRITQGVFSDDTKRTLGLNVDEFTSDNIKFVCWDIGGLQVFRDSLWDAYIAGSSGIIYVVDSAAPERFEEARTELWKWVIENSKVGDIPILILANKQDLPEARSAGEVARALDLHKVLKHSYAIVPCSAASGFNLEDALEWLRQRITEMILEHHHHHH,posex_set/posex_self_docking_set/8OUK_GTP/8OUK_GTP_protein.pdb,posex_set/posex_self_docking_set/8OUK_GTP/8OUK_GTP_ligand_start_conf.sdf
8Y2S_A1LXW,Cc1cc(C(=O)O)ccc1O,MKTQVAIIGAGPSGLLLGQLLHKAGIDNVILERQTPDYVLGRIRAGMLEQGMVDLLREAGVDRRMARDGLVHEGVEIAFAGQRRRIDLKRLSGGKTVMVYGQTEVTRDLMEAREACGATTVYQAAEVRLHDLQGERPYVTFERDGERLRLDCDYIAGCDGFHGISRQSIPAERLKVFERVYPFGWLGLLADTPPVSHENIYANHPRGFALCSQRSATRSRYYVQVPLTEKVEDWSDERFWTELKARLPAEVAEKLVTGPSLEKSIAPLRSFVVEPMQHGRLFLAGDAAHIVPPTGAKGLNLAASDVSTLYRLLLKAYREGRGELLERYSAICLRRIWKAERFSWWMTSVLHRFPDTDAFSQRIQQTELEYYLGSEAGLATIAENYVGLPYEEIEHHHHHH,posex_set/posex_self_docking_set/8Y2S_A1LXW/8Y2S_A1LXW_protein.pdb,posex_set/posex_self_docking_set/8Y2S_A1LXW/8Y2S_A1LXW_ligand_start_conf.sdf
7FLC_VPW,Clc1ccc(C2=CCNCC2)cc1,GAMNSSNYAELFNNDIKLFVDDTNVYRVTVHKTFEGNVATKAINGCIFTLNPKTGHLFLKIIHTSVWAGQKRLSQLAKWKTAEEVSALVRSLPKEEQPKQIIVTRKAMLDPLEVHMLDFPNIAIRPTELRLPFSAAMSIDKLSDVVMKATEPQMVLFNIYDDWLDRISSYTAFSRLTLLLRALKTNEESAKMILLSDPTITIKSYHLWPSFTDEQWITIESQMRDLILTEYGRKYNVNISALTQTEIKDIILGQNIKA|GAMAMNTVPFTSAPIEVTIGIDQYSFNVKENQPFHGIKDIPIGHVHVIHFQHADNSSMRYGYWFDCRMGNFYIQYDPKDGLYKMMEERDGAKFENIVHNFKERQMMVSYPKIDEDDTWYNLTEFVQMDKIRKIVRKDENQFSYVDSSMTTVQENELSSSSSDPAHSLNYTVINFKSREAIRPGHEMEDFLDKSYYLNTVMLQGIFKNSSNYFGELQFAFLNAMFFGNYGSSLQWHAMIELICSSATVPKHMLDKLDEILYYQIKTLPEQYSDILLNERVWNICLYSSFQKNSLHNTEKIMENKYPELL,posex_set/posex_self_docking_set/7FLC_VPW/7FLC_VPW_protein.pdb,posex_set/posex_self_docking_set/7FLC_VPW/7FLC_VPW_ligand_start_conf.sdf
8HNZ_3I5,O=C1N[C@@H](Cc2c[nH]c3ccc(F)cc23)C(=O)N2CCC[C@@H]12,GSTLTYPFHDWSQELSPRYAQLRASDAPVCPVVSEGTGDPLWLVTRYATAVKLLEDSRFSSEAAQASGAPRQSPVELRAPGTRGDAIAMLREAGLRSVLADGLGPRAVRRHQGWINDLAETLMSELASREGTFDLAADFVEPLSSALVSRTLLGELSADERDLLAHCADTGLRFCGVTHEEQVHAFTQMHEFFLEHARRLAGTPGEHLLKLIAEAPVDQGPLSDEALAEAGSLLVVAGFPTSSGFLCGALLTLLRHPDAVQELHAHPERVPSAVEELLRYTPLSTGSVKRMATEDLEIDGVRIKAGEVVMVSLEAVNHDPDAFEDPDVFRPGREGPMHFGFGRGRHFCPGNRLARCVIEATVRAVARRPGLRLAVAPEEISWHEGLFFRRPRAIPATW,posex_set/posex_self_docking_set/8HNZ_3I5/8HNZ_3I5_protein.pdb,posex_set/posex_self_docking_set/8HNZ_3I5/8HNZ_3I5_ligand_start_conf.sdf
8CZL_GSM,CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O,MGSSHHHHHHSSGLVPRGSHMAQRAFPNPYADYNKSLAEGYFDAAGRLTPEFSQRLTNKIRELLQQMERGLKSADPRDGTGYTGWAGIAVLYLHLYDVFGDPAYLQLAHGYVKQSLNCLTKRSITFLCGDAGPLAVAAVLYHKMNNEKQAEDCITRLIHLNKIDPHAPNEMLYGRIGYIYALLFVNKNFGVEKIPQSHIQQICETILTSGENLARKRNFTAKSPLMYEWYQEYYVGAAHGLAGIYYYLMQPSLQVSQGKLHSLVKPSVDYVCQLKFPSGNYPPCIGDNRDLLVHWCHGAPGVIYMLIQAYKVFREEKYLCDAYQCADVIWQYGLLKKGYGLCHGSAGNAYAFLTLYNLTQDMKYLYRACKFAEWCLEYGEHGCRTPDTPFSLFEGMAGTIYFLADLLVPTKARFPAFEL,posex_set/posex_self_docking_set/8CZL_GSM/8CZL_GSM_protein.pdb,posex_set/posex_self_docking_set/8CZL_GSM/8CZL_GSM_ligand_start_conf.sdf
7AN5_RDH,C=C(Oc1cccc(C(=O)O)c1)C(=O)O,MVDNSRTRPRVGHIQFLNCLPLYWGLARTGTLLDFELTKDTPEKLSEQLVRGDLDIGPVTLVEFLKNADDLVAFPDIAVGCDGPVMSCVIVSQVPLDRLDGARVALGSTSRTSVRLAQLLLSERFGVQPDYYTCPPDLSLMMQEADAAVLIGDAALRANMIDGPRYGLDVHDLGALWKEWTGLPFVFAVWAARRDYAEREPVITRKVHEAFLASRNLSLEEVEKVAEQAARWEAFDEDTLAKYFTTLDFRFGAPQLEAVTEFARRVGPTTGFPADVKVELLKPLEHHHHHH,posex_set/posex_self_docking_set/7AN5_RDH/7AN5_RDH_protein.pdb,posex_set/posex_self_docking_set/7AN5_RDH/7AN5_RDH_ligand_start_conf.sdf
8SK0_TYD,Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@](=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O,MGSSHHHHHHSSGLVPRGSVPRVFVAGGAGFIGSHYVRELVAGAYAGWQGCEVTVLDSLTYAGNLANLAGVRDAVTFVRGDICDGRLLAEVLPGHDVVLNFAAETHVDRSIADSAEFLRTNVQGVQSLMQACLTAGVPTIVQVSTDEVYGSIEAGSWSEDAPLAPNSPYAAAKAGGDLIALAYARTYGLPVRITRCGNNYGPYQFPEKVIPLFLTRLMDGRSVPLYGDGRNVRDWIHVADHCRGIQTVVERGASGEVYHIAGTAELTNLELTQHLLDAVGGSWDAVERVPDRKGHDRRYSLSDAKLRALGYAPRVPFADGLAETVAWYRANRHWWEPLRKQLDAVPHD,posex_set/posex_self_docking_set/8SK0_TYD/8SK0_TYD_protein.pdb,posex_set/posex_self_docking_set/8SK0_TYD/8SK0_TYD_ligand_start_conf.sdf
7ZF0_DHR,N#C[C@@H](O)c1ccc(O)cc1,MGSNAPPPPTPHVVLVPFPGQGHVAPLMQLARLLHARGARVTFVYTQYNYRRLLRAKGEAAVRPPATSSARFRIEVIDDGLSLSVPQNDVGGLVDSLRKNCLHPFRALLRRLGQEVEGQDAPPVTCVVGDVVMTFAAAAAREAGIPEVQFFTASACGLLGYLHYGELVERGLVPFRDASLLADDDYLDTPLEWVPGMSHMRLRDMPTFCRTTDPDDVMVSATLQQMESAAGSKALILNTLYELEKDVVDALAAFFPPIYTVGPLAEVIASSDSASAGLAAMDISIWQEDTRCLSWLDGKPAGSVVYVNFGSMAVMTAAQAREFALGLASCGSPFLWVKRPDVVEGEEVLLPEALLDEVARGRGLVVPWCPQAAVLKHAAVGLFVSHCGWNSLLEATAAGQPVLAWPCHGEQTTNCRQLCEVWGNGAQLPREVESGAVARLVREMMVGDLGKEKRAKAAEWKAAAEAAARKGGASWRNVERVVNDLLLVGGKQHHHHHH,posex_set/posex_self_docking_set/7ZF0_DHR/7ZF0_DHR_protein.pdb,posex_set/posex_self_docking_set/7ZF0_DHR/7ZF0_DHR_ligand_start_conf.sdf
7SUY_C97,NCC(=O)N(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccco1,HWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHSFQVTFDDSQDKAVLKGGPLDGTYRLLQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDVGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTEGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLAECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK,posex_set/posex_self_docking_set/7SUY_C97/7SUY_C97_protein.pdb,posex_set/posex_self_docking_set/7SUY_C97/7SUY_C97_ligand_start_conf.sdf
7P7F_ADN,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,SMMELRVGNRYRLGRKIGSGSFGDIYLGTDIAAGEEVAIKLECVKTKHPQLHIESKIYKMMQGGVGIPTIRWCGAEGDYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYRENKNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPWQGLKAATKRQKYERISEKKMSTPIEVLCKGYPSEFATYLNFCRSLRFDDKPDYSYLRQLFRNLFHRQGFSYDYVFDWNMLK,posex_set/posex_self_docking_set/7P7F_ADN/7P7F_ADN_protein.pdb,posex_set/posex_self_docking_set/7P7F_ADN/7P7F_ADN_ligand_start_conf.sdf
7XYK_D16,Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1,SNAMEGEHQYLNLVREILERGVKKDDRTGTGTLSIFGPQMRFSLRDDTIPVLTTKKIFWRGVVEELLWFIRGNTDAKELAKKKIHIWNANGSREFLDSRGLYDRAEGDLGPVYGFQWRHFGAEYDTCSSDYTGKGIDQLANILKTLRENPDDRRMIMTAWNPMDLHLMALPPCHMTAQFYVANGELSCQLYQRSGDVGLGVPFNIASYSLLTHLMASMVGLKPGEFILTLGDAHIYNTHIEVLKKQLCRVPRPFPKLRILMAPEKIEDFTIDMFYLEGYQPHSGNLQMKMAV,posex_set/posex_self_docking_set/7XYK_D16/7XYK_D16_protein.pdb,posex_set/posex_self_docking_set/7XYK_D16/7XYK_D16_ligand_start_conf.sdf
7UJ4_OQ4,CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@H](NS(=O)(=O)CC)CC3)CC2)C1)C(C)C,MGLKTAQKTLFPLRSIDDVVRLFAAELGREEPDLVLLSLVLGFVEHFLAVNRVIPTNVPELTFQPSPAPDPPGGLTYFPVADLSIIAALYARFTAQIRGAVDLSLYPREGGVSSRELVKKVSDVIWNSLSRSYFKDRAHIQSLFSFITGTKLDSSGVAFAVVGACQALGLRDVHLALSEDHAWVVFGPNGEQTAEVTWHGKGNEDRRGQTVNAGVAERSWLYLKGSYMRCDRKMEVAFMVCAINPSIDLHTDSLELLQLQQKLLWLLYDLGHLERYPMALGNLADLEELEPTPGRPDPLTLYHKGIASAKTYYRDEHIYPYMYLAGYHCRNRNVREALQAWADTATVIQDYNYCREDEEIYKEFFEVANDVIPNLLKEAASLLEAGEERPGEQSQGTQSQGSALQDPECFAHLLRFYDGICKWEEGSPTPVLHVGWATFLVQSLGRFEGQVRQKVRITFQSEKMKGMKELLVATKINSSAIKLQLTAQ,posex_set/posex_self_docking_set/7UJ4_OQ4/7UJ4_OQ4_protein.pdb,posex_set/posex_self_docking_set/7UJ4_OQ4/7UJ4_OQ4_ligand_start_conf.sdf
7VQ9_ISY,C=C(C)CCS[P@@](=O)(O)OP(=O)(O)O,MGGYFLDTPKFKRLPGHIAIIPDGNRRWALDRGLEKHEGYKHGIVPGLELYDICVKIGIGEVTFFGFTQDNTKRPQIQRKAFVDACIKSVKELSKHDAELLVVGNTNSDMFPKELLAYTKRTKFGKGKVRINFLVNYGWYWDLTYAFENSSDSKKMIENIASAEIPRIDLLIRWGGRRRLSGMLPVQTVYSDIYVVDEMWPDFKPEHLFNALEFYQDQDITLGG,posex_set/posex_self_docking_set/7VQ9_ISY/7VQ9_ISY_protein.pdb,posex_set/posex_self_docking_set/7VQ9_ISY/7VQ9_ISY_ligand_start_conf.sdf
7W2W_BGC,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,MHHHHHHSSGLVPRGSGMKETAAAKFERQHMDSPDLGTDDDDKAMALTGCSEKININEDKISHKIDIPDSAWTIGIGEKFKNAGHPNVKYPMIDDSYVQGAPLGGFGAGTIGRTYNGGFSRWHLEIGKNKYTTVYANQFSVFQKVEGNKDGVAQVLYAGEPENGYLSSWKWDYPKESGMYYALYPNSWYTYTNKDLPVQLAVKQFSPIIPYNYKETSYPVAVFKWTAYNPTNKNVDVSIMFTWQNMIGFFGKQVNVNSGNFNKIIKDKSKDSEIVAAVMGNISNDNEEWNGEYSIGVKKVPGVDISYKAKFVTTGDGSDLWHEFSKNGILDNKDDETPTKQDGIGSAIAVNFKLQPGQTIEVPFALSWDLPIMKFGGGDKWYKMYTKYFGKNGKNSFAILKEALNNYQKWEKMIDDWQKPILSNKSKPDWYKTALFNELYYLADGGTAWENGKVGEKDKRTNNMFGLLECFDYNYYETLDVRFYGSFPLVMLWPDIEKQVMRQFADTINVQDSSEFKVGSNGAMAVKKVQGMIPHDLGSSYALPWIKINAYDWQNPNIWKDLNSKYVLLVYRDYVLTGKTDKEFLKYTWKSVKTALDKLKEMDKDNDGIPDNEGIPDQTYDTWSMKGTSAYCGSLWLAALKAAQEIGKVLKDNEAYIKYNEWYKIAQQNFEKELWNGEYYNFDTESDHKDSIMADQLAGQWYADILRLGDILPKDHVQKALKKIYEFNVMKFENGKMGAVNGMRPDGIVDESDIQAQEVWTGVTYALASFMKYRGMTEEAYNTAYGVYKMTYDKSGKGYWFRTPEAWTKDGNYKASMYMRPLSIWSMEVNYNEVLEHHHHHH,posex_set/posex_self_docking_set/7W2W_BGC/7W2W_BGC_protein.pdb,posex_set/posex_self_docking_set/7W2W_BGC/7W2W_BGC_ligand_start_conf.sdf
8A1H_DLZ,Cc1nc2c(=O)[nH]c(=O)nc-2n(C[C@H](O)[C@H](O)[C@H](O)CO)c1C,MGSSHHHHHHSSGLVPRGSHMRYSVVRLILGDQLNHAHSWFSEHRDDVLYLIAELHQEQEYVRHHIQKQCAFFAAMQAFADYLSAEGHHVWHLDLDASAQYNDLPDLIAQICQQVQADAFQYQRPDEYRLLEQMANLRLSGITIGCVDTEHFLLPFAEIPEQFPASKAVLMEHFYRRMRKRFGYLMTADGKPEGGQWNFDADNRNKLKSPDLLQLPTPLCFDNPVASIKARIERHRIPSIGQVGESLLWPINRAQALSLLAHFCQICLPNFGRFQDAMTAQHPHRWSLYHSRLSFALNSKLLSPREVIEATISAYRAAQGQISLAQVEGFVRQILGWREYVRGMYWSNMPHYQTRNHLGAQRPLPSYFWNGQTKMRCLQQAITQSLDFGYAHHIQRLMVTGNFALLTECDPDQVDAWYLGIYIDAIEWVELPNTRGMALFADGGLIATKPYSASGSYINKMSDYCASCAYQVKLKSGEKACPLNSLYWRFMLKHRDRLANNPRIGMLYKTWDKMTSDSQQAILSTADAYLSQIESL,posex_set/posex_self_docking_set/8A1H_DLZ/8A1H_DLZ_protein.pdb,posex_set/posex_self_docking_set/8A1H_DLZ/8A1H_DLZ_ligand_start_conf.sdf
8E1J_I8P,O=P(O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O[P@](=O)(O)OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](O[P@@](=O)(O)OP(=O)(O)O)[C@@H]1OP(=O)(O)O,SKRNVVGICAMDAKARSKPCRNILNRIIAEGEFEAIVFGDNMILDEAVENWPACDYLICFYSSGFPLKKAEKYVELRKPFCVNDVVFQELLWDRRLVLNILDAIRVSTPQRLICSRDGGPKINKVLEEKLRRKFGIEITEVPTPEVKMLDEDTLSVDGKIIKKPYVEKPVYGEDHNIYIYFPKSVGGGGRKLFRKVANKSSDYDPDLCAPRTEGSFIYEEFMNVDNAEDVKVYTVGPHYSHAETRKSPVVDGIVRRNPHGKEIRFITNLSEEEKNMASKISIAFEQPVCGFDLLRVSGQSYVIDVNGWSFVKDNNDYYDNAARILKQMFHVAERH,posex_set/posex_self_docking_set/8E1J_I8P/8E1J_I8P_protein.pdb,posex_set/posex_self_docking_set/8E1J_I8P/8E1J_I8P_ligand_start_conf.sdf
8JBO_IFM,OC[C@H]1CNC[C@@H](O)[C@@H]1O,MALTGCSEKININEDKISHKIDIPDSAWTIGIGEKFKNAGHPNVKYPMIDDSYVQGAPLGGFGAGTIGRTYNGGFSRWHLEIGKNKYTTVYANQFSVFQKVEGNKDGVAQVLYAGEPENGYLSSWKWDYPKESGMYYALYPNSWYTYTNKDLPVQLAVKQFSPIIPYNYKETSYPVAVFKWTAYNPTNKNVDVSIMFTWQNMIGFFGKQVNVNSGNFNKIIKDKSKDSEIVAAVMGNISNDNEEWNGEYSIGVKKVPGVDISYKAKFVTTGDGSDLWHEFSKNGILDNKDDETPTKQDGIGSAIAVNFKLQPGQTIEVPFALSWDLPIMKFGGGDKWYKMYTKYFGKNGKNSFAILKEALNNYQKWEKMIDDWQKPILSNKSKPDWYKTALFNELYYLADGGTAWENGKVGEKDKRTNNMFGLLECFDYNYYETLDVRFYGSFPLVMLWPDIEKQVMRQFADTINVQDSSEFKVGSNGAMAVKKVQGMIPHDLGSSYALPWIKINAYDWQNPNIWKDLNSKYVLLVYRDYVLTGKTDKEFLKYTWKSVKTALDKLKEMDKDNDGIPDNEGIPDQTYDTWSMKGTSAYCGSLWLAALKAAQEIGKVLKDNEAYIKYNEWYKIAQQNFEKELWNGEYYNFDTESDHKDSIMADQLAGQWYADILRLGDILPKDHVQKALKKIYEFNVMKFENGKMGAVNGMRPDGIVDESDIQAQEVWTGVTYALASFMKYRGMTEEAYNTAYGVYKMTYDKSGKGYWFRTPEAWTKDGNYRASMYMRPLSIWSMEVNYNEVLEHHHHHH,posex_set/posex_self_docking_set/8JBO_IFM/8JBO_IFM_protein.pdb,posex_set/posex_self_docking_set/8JBO_IFM/8JBO_IFM_ligand_start_conf.sdf
8BI2_QR7,Cc1nn2cc1CN(C)CCOCCNC(=O)c1cn(C)c3ccc(cc13)Nc1nccc-2n1,MDTEVYESPYADPEEIRPKEVYLDRKLLTLEDKELGSGNFGTVKKGYYQMKKVVKTVAVKILKNEANDPALKDELLAEANVMQQLDNPYIVRMIGICEAESWMLVMEMAELGPLNKYLQQNRHVKDKNIIELVHQVSMGMKYLEESNFVHRDLAARNVLLVTQHYAKISDFGLSKALRADENYYKAQTHGKWPVKWYAPECINYYKFSSKSDVWSFGVLMWEAFSYGQKPYRGMKGSEVTAMLEKGERMGCPAGCPREMYDLMNLCWTYDVENRPGFAAVELRLRNYYYDVVNHHHHHH,posex_set/posex_self_docking_set/8BI2_QR7/8BI2_QR7_protein.pdb,posex_set/posex_self_docking_set/8BI2_QR7/8BI2_QR7_ligand_start_conf.sdf
7WL4_JFU,CCN1C(=O)c2cc(N3CCN(C)CC3)nc3c(NS(=O)(=O)c4ccc(F)cc4F)ccc1c23,MKKGHHHHHHLVPRGSNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE,posex_set/posex_self_docking_set/7WL4_JFU/7WL4_JFU_protein.pdb,posex_set/posex_self_docking_set/7WL4_JFU/7WL4_JFU_ligand_start_conf.sdf
7Y1H_F99,Cc1c(Cl)ccc2c1ncn2CC(=O)C[C@H]1NCCC[C@@H]1O,GAGEGQGPKKQTRLGLEAKKEENLADWYSQVITKSEMIEYHDISGCYILRPWAYAIWEAIKDFFDAEIKKLGVENCYFPMFVSQSALEKEKTHVADFAPEVAWVTRSGKTELAEPIAIRPTSETVMYPAYAKWVQSHRDLPIKLNQWCNVVRWEFKHPQPFLRTREFLWQEGHSAFATMEEAAEEVLQILDLYAQVYEELLAIPVVKGRKTEKEKFAGGDYTTTIEAFISASGRAIQGGTSHHLGQNFSKMFEIVFEDPKIPGEKQFAYQNSWGLTTRTIGVMTMVHGDNMGLVLPPRVACVQVVIIPCGITNALSEEDKEALIAKCNDYRRRLLSVNIRVRADLRDNYSPGWKFNHWELKGVPIRLEVGPRDMKSCQFVAVRRDTGEKLTVAENEAETKLQAILEDIQVTLFTRASEDLKTHMVVANTMEDFQKILDSGKIVQIPFCGEIDCEDWIKKTTARDQDLEPGAPSMGAKSLCIPFKPLCELQPGAKCVCGKNPAKYYTLFGRSY,posex_set/posex_self_docking_set/7Y1H_F99/7Y1H_F99_protein.pdb,posex_set/posex_self_docking_set/7Y1H_F99/7Y1H_F99_ligand_start_conf.sdf
8K06_RP5,O=P(O)(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O,MASSLAQSRISNLQNHLSPLEANNKLRSLVKISPQVSEALSNGRAVVALESTIISHGMPYPQNLQTAKEVESIVRENGAIPATIAILNGVPCIGLSEEELERLASLGKSVQKTAGRDIANVVATRGNGATTVSATLFFASMVGIQVFVTGGIGGVHRHANHSMDISSDLTALGRTPIAVISAGVASILDIPKTLEYLETQEVYVAAYKSDEFPAFFTEKSGCKAPSRVNSPEDCARVIDANMKLNRQAGILFAIPIPKHHSAAGNLIESATQRALTEAREQNVTGNAETPFLLARVNELTGGTSLAANIALVKNNALIGSQIAVALSQLMLEHHHHHHHH,posex_set/posex_self_docking_set/8K06_RP5/8K06_RP5_protein.pdb,posex_set/posex_self_docking_set/8K06_RP5/8K06_RP5_ligand_start_conf.sdf
8V9W_7V7,CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,MQVQLVESGGGLAQAGGSLQLSCAASGSTSRVNAMGWYRQTPGKERELVAAIDRSGATVYSESVRGRFTISKNDAKNIVWLQMNNLTTEDTAVYYCRSGVLGSWGLGTQVTVSSHHHHHH,posex_set/posex_self_docking_set/8V9W_7V7/8V9W_7V7_protein.pdb,posex_set/posex_self_docking_set/8V9W_7V7/8V9W_7V7_ligand_start_conf.sdf
5SNO_Q5H,CC(=O)Nc1cccc(C(=O)O)c1C,MSRRRVVITGMGMLSPLGLDVPSSWEGILAGRSGIAPIEHMDLSAYSTRFGGSVKGFNVEEYLSAKEARKLDLFIQYGLAASFQAVRDSGLEVTDANRERIGVSMGSGIGGLTNIENNCRSLFEQGPRRISPFFVPGSIINMVSGFLSIHLGLQGPNYALTTAQTTGTHSIGMAARNIAYGEADVMVAGGSEMAACGLGLGGFGAARALSTRNDEPTRASRPWDRDRDGFVLSDGSGALVLEELEHARARGARIYAELVGFGMSGDAFHMTAPPEDGAGAARCMKNALRDAGLDPRQVDYINAHGTSTPAGDIAEIAAVKSVFGEHAHALSMSSTKSMTGHLLGAAGAVEAIFSVLALRDQVAPPTINLDNPDEGCDLDLVAHEAKPRKIDVALSNSFGFGGTNGTLVFRRFAD,posex_set/posex_self_docking_set/5SNO_Q5H/5SNO_Q5H_protein.pdb,posex_set/posex_self_docking_set/5SNO_Q5H/5SNO_Q5H_ligand_start_conf.sdf
8CPB_AH0,CC(=O)N[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](O)[C@@H]1O[C@H](C)C(=O)O,GAGAGMPRYLGLMSGTSLDGMDIVLIEQGDRTTLLASHYLPMPAGLREDILALCVPGPDEIARAAEVEQRWVALAAQGVRELLLQQQMSPDEVRAIGSHGQTIRHEPARHFTVQIGNPALLAELTGIDVVADFRRRDVAAGGQGAPLVPAFHQALFGDDDTSRAVLNIGGFSNVSLLSPGKPVRGFDCGPGNVLMDAWIHHQRGEHFDRDGAWAASGQVNHALLASLLADEFFAARGPKSTGRERFNLPWLQEHLARHPALPAADIQATLLELSARSISESLLDAQPDCEEVLVCGGGAFNTALMKRLAMLMPEARVASTDEYGIPPAWMEGMAFAWLAHRFLERLPGNCPDVTGALGPRTLGALYPA,posex_set/posex_self_docking_set/8CPB_AH0/8CPB_AH0_protein.pdb,posex_set/posex_self_docking_set/8CPB_AH0/8CPB_AH0_ligand_start_conf.sdf
7R7E_AMP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,SNAVGQFANFVDLLQYRAKLQARKTVFSFLADGEAESAALTYGELDQKAQAIAAFLQANQAQGQRALLLYPPGLEFIGAFLGCLYAGVVAVPAYPPRPNKSFDRLHSIIQDAQAKFALTTTELKDKIADRLEALEGTDFHCLATDQVELISGKNWQKPNISGTDLAFLQYTSGSTGDPKGVMVSHHNLIHNSGLINQGFQDTEASMGVSWLPPYHDMGLIGGILQPIYVGATQILMPPVAFLQRPFRWLKAINDYRVSTSGAPNFAYDLCASQITPEQIRELDLSCWRLAFSGAEPIRAVTLENFAKTFATAGFQKSAFYPCYGMAETTLIVSGGNGRAQLPQEIIVSKQGIEANQVRPAQGTETTVTLVGSGEVIGDQIVKIVDPQALTECTVGEIGEVWVKGESVAQGYWQKPDLTQQQFQGNVGAETGFLRTGDLGFLQGGELYITGRLKDLLIIRGRNHYPQDIELTVEVAHPALRQGAGAAVSVDVNGEEQLVIVQEVERKYARKLNVAAVAQAIRGAIAAEHQLQPQAICFIKPGSIPKTSSGKIRRHACKAGFLDGSLAVVGEWQ,posex_set/posex_self_docking_set/7R7E_AMP/7R7E_AMP_protein.pdb,posex_set/posex_self_docking_set/7R7E_AMP/7R7E_AMP_ligand_start_conf.sdf
7EBU_ZF1,O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,MNHKVHMMSKPVLYYDDISPPVRGVLLTVAALGIKDQVELKLVRLFEREHLLEDFVKLNPLHAVPVLKHDDLVLTDSHAIIMYLCDIFGQDGDFSLKDPKQRARVHNRLCFNNAVLFQRESIVMRGLINRSIVTLEDHHLKPVQEAYDCLEVYLTNSKFVACDQLTVADFPIVACMSTVGMVCPLSTSRWPKTAAWFETMKQLPYYQQANQVGVDKLKERLHAVMKK,posex_set/posex_self_docking_set/7EBU_ZF1/7EBU_ZF1_protein.pdb,posex_set/posex_self_docking_set/7EBU_ZF1/7EBU_ZF1_ligand_start_conf.sdf
7FTI_YMI,Cn1nc(-c2ccc(F)cc2)cc1C(=O)O,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_self_docking_set/7FTI_YMI/7FTI_YMI_protein.pdb,posex_set/posex_self_docking_set/7FTI_YMI/7FTI_YMI_ligand_start_conf.sdf
8DJU_SIV,O=C1O[C@@H]2[C@@H](O)CO[C@]2(O)C1(O)O,MAKSYPTVSAEYSEAVEKARQKLRALIAEKSCAPLMLRLAWHSAGTFDVSSRTGGPFGTMKNPAELAHGANAGLDIAVRLLEPIKEEFPILSYADFYQLAGVVAVEVTGGPQIPFHPGREDKPQPPPEGRLPDATKGSDHLRQVFGKQMGLSDQDIVALSGGHTLGRCHKERSGFEGAWTSNPLVFDNSYFKELLSGDKEGLLQLPSDKALLSDPAFRPLVDKYAADEKAFFEDYKEAHLKLSELGFADA,posex_set/posex_self_docking_set/8DJU_SIV/8DJU_SIV_protein.pdb,posex_set/posex_self_docking_set/8DJU_SIV/8DJU_SIV_ligand_start_conf.sdf
7ZB9_M65,CCOC(=O)CCCCCCn1ccnc1,MHHHHHHMGLNTAIATRVNGTPPPEVPIADIELGSLDFWALDDDVRDGAFATLRREAPISFWPTIELPGFVAGNGHWALTKYDDVFYASRHPDIFSSYPNITINDQTPELAEYFGSMIVLDDPRHQRLRSIVSRAFTPKVVARIEAAVRDRAHRLVSSMIANNPDRQADLVSELAGPLPLQIICDMMGIPKADHQRIFHWTNVILGFGDPDLATDFDEFMQVSADIGAYATALAEDRRVNHHDDLTSSLVEAEVDGERLSSREIASFFILLVVAGNETTRNAITHGVLALSRYPEQRDRWWSDFDGLAPTAVEEIVRWASPVVYMRRTLTQDIELRGTKMAAGDKVSLWYCSANRDESKFADPWTFDLARNPNPHLGFGGGGAHFCLGANLARREIRVAFDELRRQMPDVVATEEPARLLSQFIHGIKTLPVTWS,posex_set/posex_self_docking_set/7ZB9_M65/7ZB9_M65_protein.pdb,posex_set/posex_self_docking_set/7ZB9_M65/7ZB9_M65_ligand_start_conf.sdf
7THI_PGA,O=C(O)COP(=O)(O)O,MSKYKLIMLRHGEGAWNKENRFCSWVDQKLNSEGMEEARNCGKQLKALNFEFDLVFTSVLNRSIHTAWLILEELGQEWVPVESSWRLNERHYGALIGLNREQMALNHGEEQVRLWRRSYNVTPPPIEESHPYYQEIYNDRRYKVCDVPLDQLPRSESLKDVLERLLPYWNERIAPEVLRGKTILISAHGNSSRALLKHLEGISDEDIINITLPTGVPILLELDENLRAVGPHQFLGDQEAIQAAIKKVEDQGKVKQAKKLEHHHHHH,posex_set/posex_self_docking_set/7THI_PGA/7THI_PGA_protein.pdb,posex_set/posex_self_docking_set/7THI_PGA/7THI_PGA_ligand_start_conf.sdf
8OGX_VGO,O=C(O)[C@H]1CNCC(O)(O)[C@H]1O,MAFARGGLAQTASQTTSSPVRVGLSVDASALGHTIPPDYTGLSYEQAQMANPNYFSGANTQLAGFLRTLGRQGVLRIGGNTSEYTFWNRHAKPTAADEHLAAGPDKGHHAAAREVITPEAVNNLSEFLDKTGWKLIYGLNLGKGTPENAADEAAYVMETIGADRLLAFQLGNEPDLFYRNGIRPASYDFAAYAGDWQRFFTAIRKRVPNAPFAGPDTAYNTKWLVPFADKFKHDVKFISSHYYAEGPPTDPSMTIERLMKPNPRLLGETAGLKQVEADTGLPFRLTETNSCYQGGKQGVSDTFAAALWAGDLMYQQAAAGSTGINFHGGGYGWYTPVAGTPEDGFIARPEYYGMLLFAQAGAGQLLGAKLTDNSAAPLLTAYALRGTDGRTRIALFNKNLDADVEVAISGVASPSGTVLRLEAPRADDTTDVTFGGAPVGASGSWSPLVQEYVPGHSGQFVLHMRKASGALLEFA,posex_set/posex_self_docking_set/8OGX_VGO/8OGX_VGO_protein.pdb,posex_set/posex_self_docking_set/8OGX_VGO/8OGX_VGO_ligand_start_conf.sdf
7DZL_PLM,CCCCCCCCCCCCCCCC(=O)O,MKSSFSGKYQLQSQENFEAFMKAIGLPEELIQKGKDIKGVSEIVQNGKHFKFTITAGSKVIQNEXTVGEECELETMTGEKVKTVVQLEGDNKLVTTFKNIKSVTELNGDIITNTMTLGDIVFKRISKRILEHHHHHH,posex_set/posex_self_docking_set/7DZL_PLM/7DZL_PLM_protein.pdb,posex_set/posex_self_docking_set/7DZL_PLM/7DZL_PLM_ligand_start_conf.sdf
8T1Z_SIA,CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@@H]1O,MRGSHHHHHHGSMQEVTMWGDSHGVAPNQVRRTLVKVALSESLPPGAKQIRIGFSLPKETEEKVTALYLLVSDSLAVRDLPDYKGRVSYDSFPISKEDRTTALSADSVAGRRFFYLAADIGPVASFSRSDTLTARVEEVAVDGRPLPLKELSPASRRLYRGYEALFVPGDGGSRNYRIPAILKTANGTLIAMADRRKYNQTDLPEDIDIVMRRSTDGGKSWSDPRIIVQGEGRNHGFGDVALVQTQAGKLLMIFVGGVGLWQSTPDRPQRTYISESRDEGLTWSPPRDITHFIFGKDCADPGRSRWLASFCASGQGLVLPSGRITFVAAIRESGQEYVLNNYVLYSDDEGDTWQLSDCAYRRGDEAKLSLMPDGRVLMSIRNQGRQESRQRFFALSSDDGLTWERAKQFEGIHDPGCNGAMLQVKRNGRDQVLHSLPLGPDGRRDGAVYLFDHVSGRWSAPVVVNSGSSAYSDMTLLADGTIGYFVEEGDEISLVFIRFVLDDLFDVRQ,posex_set/posex_self_docking_set/8T1Z_SIA/8T1Z_SIA_protein.pdb,posex_set/posex_self_docking_set/8T1Z_SIA/8T1Z_SIA_ligand_start_conf.sdf
7FVU_GFS,O=C(O)c1ccccc1C(=O)[C@H]1c2ccccc2S[C@@H]1c1csc2ccccc12,GSHMDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_self_docking_set/7FVU_GFS/7FVU_GFS_protein.pdb,posex_set/posex_self_docking_set/7FVU_GFS/7FVU_GFS_ligand_start_conf.sdf
8A7L_ZOL,O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O,GSFSKEESREFMAIFPDIVRDLTDAGRHTDIPEVTKRFAKVLQYNVPTGKKTRGLSTVIAYKMLEKPENLTPENVRLAGILGWCVELLQASLLIMDDLMDRSETRRGQPCWYRQENVGFLAINDCLHVESSLYSVLRKYFSHLPCYVPIIELFHDVNFKTNMGQSLDALCMKDGRPILSQFTMKRYSSIVKYKTSYYTFQLPVSLGMYLADMYDPEQHRQAKTILMEIGEFFQIQDDFLDAFGDSQVTGKVGTDIKEGKCSWLAVVALQRSNPAQRQIMEEHYGRPEPESTQIIKNLYIELGLPATFAVYEEESFNIIRTHIHQISKGLPHDLFFKIMKKIYKRDA,posex_set/posex_self_docking_set/8A7L_ZOL/8A7L_ZOL_protein.pdb,posex_set/posex_self_docking_set/8A7L_ZOL/8A7L_ZOL_ligand_start_conf.sdf
8Z2W_A1L0T,CC(C)CP(=O)(O)O,MLPLLLCIVPYCWSSRLDPRASSFDYNGEKVRGVNLGGWLVLEPWITPSIFDAAGAEAVDEWSLTKILGKEEAEARLSAHWKSFVSAGDFQRMADAGLNHVRIPIGYWALGPLEGDPYVDGQLEYLDKAVEWAGAAGLKVLIDLHGAPGSQNGFDNSGRRGAIQWQQGDTVEQTLDAFDLLAERYLGSDTVAAIEAINEPNIPGGVDQGKLQEYYGSVYGIVNKYNAGTSVVYGDGFLPVESWNGFKTEGSKVVMDTHHYHMFDNGLIAMDIDSHIDAVCQFAHQHLEASDKPVIVGEWTGAVTDCAKYLNGKGNGARYDGSYAADKAIGDCSSLATGFVSKLSDEERSDMRRFIEAQLDAFELKSGWVFWTWKTEGAPGWDMSDLLEAGVFPTSPDDREFPKQCHHHHHH,posex_set/posex_self_docking_set/8Z2W_A1L0T/8Z2W_A1L0T_protein.pdb,posex_set/posex_self_docking_set/8Z2W_A1L0T/8Z2W_A1L0T_ligand_start_conf.sdf
8QRT_WP2,Cc1ccsc1C1=NO[C@@]2(CCN(Cc3c(F)cccc3F)C2=O)C1,MKHHHHHHPMASAATESATATATLEETLAQRLRLGSLEPDGLSYKESFIVRSYEVGVNKTATVETIANLLQEVGCNHAQSVGFSTDGFATTTTMRLLRLIWVTARMHIEIYKYPAWGDVVEIETWCQEDGKIGTRRDWIIKDYSTGVVIGRATSKWVMMNQDTRRLQRVNDEVREEYLIFCPRTPRLAFPEEDSDSLKKIPKLEEPAQSSKLGLVPRRADLDMNQHVNNVTYIGWVLESIPQEIIDTHELQTITLDYRRECQHDDIVDSLSSREFGDTPQNGNHSTGRKEGECQFLHFLKLSGSGLEINRGRTQWRRLAK,posex_set/posex_self_docking_set/8QRT_WP2/8QRT_WP2_protein.pdb,posex_set/posex_self_docking_set/8QRT_WP2/8QRT_WP2_ligand_start_conf.sdf
7TB0_UD1,CC(=O)N[C@H]1[C@@H](O[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,MEEIIVRGGNQLNGTVRIEGAKNAVLPILAASLLAEEGITTLDNVPILSDVFTMNQVIRHLNVDVDFDEQKNQVTIDASRQLEIEAPYEYVSQMRASIVVMGPLLARNGHAKVAMPGGCAIGKRPIDLHLKGFQALGAKIIQKNGYIEAIADELIGNTIYLDFPSVGATQNIMMAAVKAKGTTIIENVAREPEIVDLANILNKMGAQVYGAGTETMRIEGVDHLHAVNHSIVQDRIEAGTFMVAAAMTQGNVLIADAISEHNRPLISKLIEMGAEIIEEEGGVRVIGPKHILPTDVKTMPHPGFPTDMQAQMTAIQLVAEGTSVVTETVFENRFQHLEEMRRMNAHVKIDGNVAIMDGNHELQGAEVYATDLRAAAALVLAGLKANGITRVRNLNYLDRGYYNFHIKLQQLGADVERVDMDQTSAEKTAQTIA,posex_set/posex_self_docking_set/7TB0_UD1/7TB0_UD1_protein.pdb,posex_set/posex_self_docking_set/7TB0_UD1/7TB0_UD1_ligand_start_conf.sdf
9EMG_5GP,Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,WGAQGHRLVAEVADARLNPTARAEVDRLLATEPDATLASIAPWADQLRAKDPGLGRRSAGWHYVNIAEDNCHYEAPKHCRNGNCIVEALKAQSTILGDRSLTDGERLQALKFVVHLVGDIHQPMHAGYAHDKGGNDFQLQFGNRGTNLHSLWDSGMLNTRKLDDAGYLPLLQSQRAPKLARQSNPQRDPQTWAEASCRISMQAGVYPATRKIGDEYTERYRPLAEAQLRLAGENLAQLLNRVLGARLEHHHHHH,posex_set/posex_self_docking_set/9EMG_5GP/9EMG_5GP_protein.pdb,posex_set/posex_self_docking_set/9EMG_5GP/9EMG_5GP_ligand_start_conf.sdf
7SIA_9I4,Cc1ccc2oc(C#Cc3cccc(CN4CCN(CCNC(=O)c5cccc(C#Cc6oc7ccc(C)cc7c6CC(=O)O)c5)CC4)c3)c(CC(=O)O)c2c1,MHGEVDSSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACEWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNKKRGIGGYSAGERIVDIIATDIETKE,posex_set/posex_self_docking_set/7SIA_9I4/7SIA_9I4_protein.pdb,posex_set/posex_self_docking_set/7SIA_9I4/7SIA_9I4_ligand_start_conf.sdf
7MX6_SNU,Nc1ccc(-n2cccc2)cc1,SMSLQVNLLNNTFANPFMNAAGVMCTTTEELVAMTESASGSLVSKSCTPALREGNPTPRYQALPLGSINSMGLPNNGFDFYLAYAAEQHDYGKKPLFLSMSGLSMRENVEMCKRLAAVATEKGVILELNLSCPNVPGKPQVAYDFDAMRQCLTAVSEVYPHSFGVKMPPYFDFAHFDAAAEILNEFPKVQFITCINSIGNGLVIDAETESVVIKPKQGFGGLGGRYVLPTALANINAFYRRCPGKLIFGCGGVYTGEDAFLHVLAGASMVQVGTALQEEGPSIFERLTSELLGVMAKKRYQTLDEFRGKVRTLDGTAESTR,posex_set/posex_self_docking_set/7MX6_SNU/7MX6_SNU_protein.pdb,posex_set/posex_self_docking_set/7MX6_SNU/7MX6_SNU_ligand_start_conf.sdf
7FEW_CMP,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O,TGGTHTPKLKHLDKLLAHCHRRRYTAKSTIIYAGDRCETLFFIIKGSVTILIEDDDGREMIIGYLNSGDFFGELGLFEKEGSEQERSAWVRAKVECEVAEISYAKFRELSQQDSEILYTLGSQMADRLRKTTRKVGDLAFLDVTGRVARTLLDLCQQPDAMTHPDGMQIKITRQEIGRIVGCSREMVGRVLKSLEEQGLVHVKGKTMVVFGTR|TGGTHTPKLKHLDKLLAHCHRRRYTAKSTIIYAGDRCETLFFIIKGSVTILIEDDDGREMIIGYLNSGDFFGELGLFEKEGSEQERSAWVRAKVECEVAEISYAKFRELSQQDSEILYTLGSQMADRLRKTTRKVGDLAFLDVTGRVARTLLDLCQQPDAMTHPDGMQIKITRNEIGRIVGCSREMVGRVLKSLEEQGLVHVKGKTMVVFGTR,posex_set/posex_self_docking_set/7FEW_CMP/7FEW_CMP_protein.pdb,posex_set/posex_self_docking_set/7FEW_CMP/7FEW_CMP_ligand_start_conf.sdf
8T68_ZKI,Clc1cc2c(N[C@@H]3CCOC3)nnc(-c3ccncc3)c2cc1Cl,GQSRYVPSSGMSAKELCENDDLATSLVLDPYLGFQTHKMNTSAFPSRSSRHFSKSDSFSHNNPVRFRPIKGRQEELKEVIERFKKDEHLEKAFKCLTSGEWARHYFLNKNKMQEKLFKEHVFIYLRMFATDSGFEILPCNRYSSEQNGAKIVATKEWKRNDKIELLVGCIAELSEIEENMLLRHGENDFSVMYSTRKNCAQLWLGPAAFINHDCRPNCKFVSTGRDTACVKALRDIEPGEEISCYYGDGFFGENNEFCECYTCERRGTGAFKSR,posex_set/posex_self_docking_set/8T68_ZKI/8T68_ZKI_protein.pdb,posex_set/posex_self_docking_set/8T68_ZKI/8T68_ZKI_ligand_start_conf.sdf
7M6K_YRJ,O=C(NCc1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1)Nc1ccc([N+](=O)[O-])cc1,KKSQYLEKINEVIRRAWAVPTHGHELGYSLCNSLRQSGGLDLLMKNCVKPDLQFSSAQLLEQCLTTENRKHVVDNGLDKVVNVACVCTKNSNMEHSRVGTGILEHLFKHSEGTCSDVIRLGGLDAVLFECRTSDLETLRHCASALANLSLYGGAENQEEMILRKVPMWLFPLAFHNDDNIKYYACLAIAVLVANKEIEAEVLKSGCLDLVEPFVTSHDPSAFARSNLAHAHGQSKHWLKRLVPVLSSNREEARNLAAFHFCMEAGIKREQGNTDIFREINAIEALKNVASCPNAIASKFAAQALRLIGET,posex_set/posex_self_docking_set/7M6K_YRJ/7M6K_YRJ_protein.pdb,posex_set/posex_self_docking_set/7M6K_YRJ/7M6K_YRJ_ligand_start_conf.sdf
8I8S_8OG,Nc1nc2c([nH]c(=O)n2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]1,MKASRLYTLVLVLQPQRVLLGMKKRGFGAGRWNGFGGKVQEGETIEDGARRELQEESGLTVDALHKVGQIVFEFVGEPELMDVHVFCTDSIQGTPVESDEMRPCWFQLDQIPFKDMWPDDSYWFPLLLQKKKFHGYFKFQGQDTILDYTLREVDTV,posex_set/posex_self_docking_set/8I8S_8OG/8I8S_8OG_protein.pdb,posex_set/posex_self_docking_set/8I8S_8OG/8I8S_8OG_ligand_start_conf.sdf
7Q2B_M6H,c1ccc(CC2NCCN2)cc1,MGSSHYHHHHSSGLVPRGSHMAEKPISPTKTRTRFEDIQAHYDVSDDFFALFQDPTRTYSCAYFEPPELTLEEAQYAKVDLNLDKLDLKPGMTLLDIGCGWGTTMRRAVERFDVNVIGLTLSKNQHARCEQVLASIDTNRSRQVLLQGWEDFAEPVDRIVSIEAFEHFGHENYDDFFKRCFNIMPADGRMTVQSSVSYHPYEMAARGKKLSFETARFIKFIVTEIFPGGRLPSTEMMVEHGEKAGFTVPEPLSLRPHYIKTLRIWGDTLQSNKDKAIEVTSEEVYNRYMKYLRGCEHYFTDEMLDCSLVTYLKPGAAA,posex_set/posex_self_docking_set/7Q2B_M6H/7Q2B_M6H_protein.pdb,posex_set/posex_self_docking_set/7Q2B_M6H/7Q2B_M6H_ligand_start_conf.sdf
7FTG_1SY,Nc1nc(=O)c2ncn([C@@H]3O[C@@H]4CO[P@@](=O)(O)O[C@H]5[C@@H](O)[C@H](n6cnc7c(N)ncnc76)O[C@@H]5CO[P@](=O)(O)O[C@@H]3[C@@H]4O)c2[nH]1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_self_docking_set/7FTG_1SY/7FTG_1SY_protein.pdb,posex_set/posex_self_docking_set/7FTG_1SY/7FTG_1SY_ligand_start_conf.sdf
7N7G_FCN,C[C@@H]1O[C@@H]1P(=O)(O)O,MIKGINHITYSVSNIAKSIEFYRDILGADILVESETLAYFNLGGIWLALNEEKNIPRSEIKYSYTHIAFTISDNDFEDWYNWLKENEVNILEGRDRDIRDKKSIYFTDLDGHKLELHTGSLEDRLSYYKEAKPHMNFYI,posex_set/posex_self_docking_set/7N7G_FCN/7N7G_FCN_protein.pdb,posex_set/posex_self_docking_set/7N7G_FCN/7N7G_FCN_ligand_start_conf.sdf
8J6N_TVJ,Cc1ncc(COP(=O)(O)O)c(/C=N/NC(=O)C(N)=O)c1O,GPGFLPSFQHFATQAIHVGQEPEQWSSRAVVLPISLATTFKQDSPGQSSGFVYSRSGNPTRNCLEKAVAALDGAKHCLTFASGLAATTTITHLLKAGDEVICMDEVYGGTNRYFRRVASEFGLKISFVDCSKTKLLEAAITPQTKLVWIETPTNPTLKLADIKACAQIVHKHKDIILVVDNTFMSAYFQRPLALGADICMCSATKYMNGHSDVVMGLVSVNSDDLNERLRFLQNSLGAVPSPFDCYLCCRGLKTLQIRMEKHFRNGMAVARFLESNPRVEKVIYPGLPSHPQHELAKRQCTGCPGMVSFYIKGTLQHAQVFLKNIKLFALAESLGGYESLAELPAIMTHASVPEKDRATLGISDTLIRLSVGLEDEKDLLEDLGQALKAAHP,posex_set/posex_self_docking_set/8J6N_TVJ/8J6N_TVJ_protein.pdb,posex_set/posex_self_docking_set/8J6N_TVJ/8J6N_TVJ_ligand_start_conf.sdf
8YHR_A1LYU,Cc1cc(=O)oc2c1ccc1oc([C@@H](O)c3ccccc3)c(-c3ccccc3)c12,MGSSHHHHHHSSGLVPRGSHMATGDERFYAEHLMPTLQGLLDPESAHRLAVRFTSLGLLPRARFQDSDMLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSVTPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVNLGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSLQGKAELRRLLTKVLQERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGFGGVTDAIGADHRR,posex_set/posex_self_docking_set/8YHR_A1LYU/8YHR_A1LYU_protein.pdb,posex_set/posex_self_docking_set/8YHR_A1LYU/8YHR_A1LYU_ligand_start_conf.sdf
8OEO_4LU,Cc1cc2c3c(c1C)C(C)(C)CC=[N+]3c1c([nH]c(=O)[nH]c1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,MSAQPAHLCFRSFVEALKVDNDLVEINTPIDPNLEAAAITRRVCETNDKAPLFNNLIGMKNGLFRILGAPGSLRKSSADRYGRLARHLALPPTASMREILDKMLSASDMPPIPPTIVPTGPCKENSLDDSEFDLTELPVPLIHKSDGGKYIQTYGMHIVQSPDGTWTNWSIARAMVHDKNHLTGLCIPPQHIWQIHQMWKKEGRSDVPWALAFGVPPAAIMASSMPIPDGVTEAGYVGAMTGSSLELVKCDTNDLYVPATSEIVLEGTLSISETGPEGPFGEMHGYIFPGDTHLGCKYKVNRITYRNNAIMPMSSCGRLTDETHTMIGSLAAAEIRKLCQQNDLPITDAFAPFESQVTWVALRVDTEKLRAMKTTSEGFRKRVGDVVFNHKAGYTIHRLVLVGDDIDVYEGKDVLWAFSTRCRPGMDETLFEDVRGFPLIPYMGHGNGPAHRGGKVVSDALMPTEYTTGRNWEAADFNQSYPEDLKQKVLDNWTKMGFSNLEHHHHHH,posex_set/posex_self_docking_set/8OEO_4LU/8OEO_4LU_protein.pdb,posex_set/posex_self_docking_set/8OEO_4LU/8OEO_4LU_ligand_start_conf.sdf
6ZK3_RIB,OC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O,MGSSHHHHHHSQDPNSSSMGQDGQQIRRDKLIIDTDPGIDDSMTILMAFRAPSVEIIGLTTIFGNVDTKGATRNALLLCERAGCPEVPVAEGSHEPLKGGKPRVADFVHGSDGIGNLFLPAPSAKKVEESAADFLINKVSEFPGEVSVLALGPLTNVALAIKRDPSFASKVKKIVVLGGAFFAAGNVNPAAEANIHGDPEAADIVFTSGADIVVVGINITTQVCLTDEDLLELRNSKGKHAAFLYEMCKFYRDWHAKSDGFHGIFLHDPVSFTAVLHPEYFTFKKGVVRVETQGICTGHTLMDQGLKKWNSENPWSGYKPISVAWTVDVPKVISFIKKLLMAP,posex_set/posex_self_docking_set/6ZK3_RIB/6ZK3_RIB_protein.pdb,posex_set/posex_self_docking_set/6ZK3_RIB/6ZK3_RIB_ligand_start_conf.sdf
7U3E_L4O,CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2,GSGSKFRGHQKSKGNSYDVEVVLQHVDTGNSYLCGYLKIKGLTEEYPTLTTFFEGEIISKKHPFLTRKWDADEDVDRKHWGKFLAFYQYAKSFNSDDFDYEELKNGDYVFMRWKEQFLVPDHTIKDISGASFAGFYYICFQKSAASIEGYYYHRSSEWYQSLNLTHV,posex_set/posex_self_docking_set/7U3E_L4O/7U3E_L4O_protein.pdb,posex_set/posex_self_docking_set/7U3E_L4O/7U3E_L4O_ligand_start_conf.sdf
7G88_WKY,CC(=O)Nc1ccncc1C,SMAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRG|SMEMDEKDFAADSWSLAVDSSFLQQHKKEVMKQQDVIYELIQTELHHVRTLKIMTRLFRTGMLEELHLEPGVVQGLFPCVDELSDIHTRFLSQLLERRRQALCPGSTRNFVIHRLGDLLISQFSGPSAEQMCKTYSEFCSRHSKALKLYKELYARDKRFQQFIRKVTRPAVLKRHGVQECILLVTQRITKYPLLISRILQHSHGIEEERQDLTTALGLVKELLSNVDEGIYQLEKGARLQEIYNR,posex_set/posex_self_docking_set/7G88_WKY/7G88_WKY_protein.pdb,posex_set/posex_self_docking_set/7G88_WKY/7G88_WKY_ligand_start_conf.sdf
8QHG_V8I,NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl,HHHHHHMSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHSFQVTFDDSQDKAVLKGGPLDGTYRLLQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDVDKALQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTEGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLAEGVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK,posex_set/posex_self_docking_set/8QHG_V8I/8QHG_V8I_protein.pdb,posex_set/posex_self_docking_set/8QHG_V8I/8QHG_V8I_ligand_start_conf.sdf
7WZX_7PK,CN[C@@H]1[C@H](O)[C@H](NC)[C@@H](O)[C@@H](O[C@@H]2O[C@H](C)C[C@H](O)C2=O)[C@H]1O,MGSSHHHHHHSSGLVPRGSHMSVRLADGKVRNPEGIEVNASLQCNMRCQSCAHLSPLYRRENADPAEIHDTLSVLARSYHASYAKIMGGEPLLHPDVVGLIEAVRATGISDTVLVATNGTLLHRATERFWQAVDSLEISVYPSRMIAPEEIERYRVLAREHGVSLLVNYYGHFRAVYSESGTDAPDLVRDVFDTCKLAHFWNSHTVYDGWLYRCPQSVFMPRQLRDGGWDPRVDGLRIEDDPAFLERLHRFLTADDPLRACRNCLGSVGKLHPHQELPRAGWQVTEQLAALVDYPFLKVCKDDITADDGCVERSLSAPVGGA,posex_set/posex_self_docking_set/7WZX_7PK/7WZX_7PK_protein.pdb,posex_set/posex_self_docking_set/7WZX_7PK/7WZX_7PK_ligand_start_conf.sdf
7LRO_YBV,Cn1ncc(NC2CNC2)c(Cl)c1=O,SMSTEDAMTVLTPLTEKDYEGLKRVLRSLQAHKMAWPFLEPVDPNDAPDYYGVIKEPMDLATMEERVQRRYYEKLTEFVADMTKIFDNCRYYNPSDSPFYQCAEVLESFFVQKLKGFKASRSH,posex_set/posex_self_docking_set/7LRO_YBV/7LRO_YBV_protein.pdb,posex_set/posex_self_docking_set/7LRO_YBV/7LRO_YBV_ligand_start_conf.sdf
8D88_N2P,NCCCCCN,MTDSIMQNYNQLREQVINGDRRFQHKDGHLCFEGVDLDALARQYPTPFYVFSEPEIIRNIHEIQQAFAAHKNTKTFFASKTCSVMGVLKAIRDAGICAEANSQYEVRKCLEIGFRGDQIVFNGVVKKPADLEYAIANDLYLINVDSLYELEHIDAISRKLKKVANVCVRVEPNVPSATHAELVTAFHAKSGLDLEQAEETCRRILAMPYVHLRGLHMHVGDQVPESEPFAKATKVLVDESRRLEEVLGIKFDLINVGGGIPVPYKYDDENGDPLKDNMYAGITAQDFADAVIREVHKWRTDVEICIEPGRKVTGSAAVLLTEVSCEKRKTNYDLNGNVECHVEWKFVDAGYSVLSDSQHFDWFFYVYNASRMTAAHDAWIKLAGPLCDGGDYFHMGVKGEEFLLPKETHVGDIVAFLDAGAYTIESQTVFNNRPRTGVVMIDKNGDTRLIRREDSYEDMVKYDIYLAAALEHHHHHHA,posex_set/posex_self_docking_set/8D88_N2P/8D88_N2P_protein.pdb,posex_set/posex_self_docking_set/8D88_N2P/8D88_N2P_ligand_start_conf.sdf
8SL9_H73,CC1(C)Nc2nc(N)[nH]c(=O)c2N=C1C(=O)NCCN1CC[C@@H](SC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)C[C@@H]1C(=O)O,GGMQYIIGIGTNIGFTIENIHLAITALESQQNIRIIRKASLYSSKAVLKEDAPKEWDIRFLNTAVKISSSLKPDELLVLLKDIELKIGRDLNAPAWSPRVIDLDILAAEDLILETDKLTIPHKELINRSFALAPLLELSKGWHHPKYVEWDLNIRLKELGEIVKLKQTLANTIRMGIVNLSNQSFSDGNFDDNQRKLNLDELIQSGAEIIDIGAESTKPDAKPISIEEEFNKLDEFLEYFKSQLANLIYKPLVSIDTRKLEVMQKILAKHHDIIWMINDVECNNIEQKAQLIAKYNKKYVIIHNLGITDRNQYLDKENAIDNVCDYIEQKKQILLKHGIAQQNIYFDIGFGFGKKSDTARYLLENIIEIKRRLELKALVGHSRKPSVLGLAKDSNLATLDRATRELSRKLEKLDIDIIRVHKI,posex_set/posex_self_docking_set/8SL9_H73/8SL9_H73_protein.pdb,posex_set/posex_self_docking_set/8SL9_H73/8SL9_H73_ligand_start_conf.sdf
7SDB_IHP,O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O,MKKNHHHHHHLVPRGSKLASSIVCDSTIENPCIVQDSKTQFSPVIRYREVASIADVYGGNITGINKFHLSGSEQPSEKGWEAIAESISRKMGAETKKVIVLDLRQESHGYLNGRAITLVSVYNWINLGKSNSQSTLDQENWLTGLRSRKIVNGVLTVPQYVAKQYSQGKSMVVSTVKNEEYYVYKKGFDYYRIFISDHRAPLDSEVDALVALIKNNPEDTWYHVHSRGGKGRTTTVFAMFDMLKNADKVSFEEIIARQASIPPFYNLMVTNREIPELTPYYEQRLQFLIHFYEFARQSLMGYSGTWSEWKKLNI,posex_set/posex_self_docking_set/7SDB_IHP/7SDB_IHP_protein.pdb,posex_set/posex_self_docking_set/7SDB_IHP/7SDB_IHP_ligand_start_conf.sdf
8JMZ_UKI,Cc1cc2cc(Oc3ccnc(Nc4cccc(CS(=O)(=O)NCCN(C)C)c4)n3)ccc2[nH]1,GPAGVSEYELPEDPRWELPRDRLVLGKPLGEGCFGQVVLAEAIGLDKDKPNRVTKVAVKMLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKGNLREYLQARRPPGLEYSYNPSHNPEEQLSSKDLVSCAYQVARGMEYLASKKCIHRDLAARNVLVTEDNVMKIADFGLARDIHHIDYYKKTTNGRLPVKWMAPEALFDRIYTHQSDVWSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEGHRMDKPSNCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRIVALTSNQE,posex_set/posex_self_docking_set/8JMZ_UKI/8JMZ_UKI_protein.pdb,posex_set/posex_self_docking_set/8JMZ_UKI/8JMZ_UKI_ligand_start_conf.sdf
7SEA_8XF,Nc1cc(C(F)(F)F)ncn1,SNAGKNVMVEPHRHEGVFICRGKEDALVTKNLVPGESVYGEKRVSISEGDDKIEYRAWNPFRSKLAAAILGGVDQIHIKPGAKVLYLGAASGTTVSHVSDIVGPDGLVYAVEFSHRSGRDLINLAKKRTNIIPVIEDARHPHKYRMLIAMVDVIFADVAQPDQTRIVALNAHTFLRNGGHFVISIKANCIDSTASAEAVFASEVKKMQQENMKPQEQLTLEPYERDHAVVVGVYRPPPKVKN,posex_set/posex_self_docking_set/7SEA_8XF/7SEA_8XF_protein.pdb,posex_set/posex_self_docking_set/7SEA_8XF/7SEA_8XF_ligand_start_conf.sdf
8CIW_ZKK,C[C@@H](CC(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,MLPITAADDVQGLLLQLRGLLEQAISALASRCTKGRQLDAELLDLMQVPTFELAWASAELLAAERSLQAIDAGTSSVDRRLILVFAVEAITLVHSRLEAIYAELDLADGTLHAIAADQKLRALRRSVLSSTALHDSARLMVERPEQIGQVAMGDELSMIEDQFRRFAADTVAPLAEHIHREDLIIPDSLLAALRDMGVFGLSIPERYGGSAPDDQEDPLTMIVVTEALSQASLAAAGSLITRPEILSRALLSGGTESQKQHWLARLAVGDPLCAIAITEPDYGSDVAGLTLRGTPCEGGWRLNGAKTWCTFAGKAGVLMVVTRTNPDKSLGHRGLSLLLAEKPSYDGHEFDFRQPGGGSLTGRAIPTIGYRGMHSFDLSFEDFFVPDGNVIGEAQGLGKGFYHTMAGMTGGRMQTAGRASGVMRAALLAGLRYATERKVFGSPLLDYPLTGAKLTKMAARYVASRYLTYSVGRMLAQGEGRMEASLVKLFACRSAELVTRESLQIHGGMGYAEEVAVSRYFVDARVLSIFEGAEETLALKVIGRSLLEAALKAEA,posex_set/posex_self_docking_set/8CIW_ZKK/8CIW_ZKK_protein.pdb,posex_set/posex_self_docking_set/8CIW_ZKK/8CIW_ZKK_ligand_start_conf.sdf
5SCC_FBP,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,GSMEGPAGYLRRADVAQLTQELGTAFFQQQQLPAAMADTFLEHLCLLDIDSEPVAARSTSIIATIGPASRSVERLKEMIKAGMNIARLNFSHGSHEYHAESIANVREAVESFAGSPLSYRPVAIALDTKGPGSGPGLSEQDVRDLRFGVEHGVDIVFASFVRKASDVAAVRAALGPEGHGIKIISKIENHEGVKRFDEILEVSDGIMVARGDLGIEIPAEKVFLAQKMMIGRCNLAGKPVVCATQMLESMITKPRPTRAETSDVANAVLDGADCIMLSGETAKGNFPVEAVKMQHAIAREAEAAVYHRQLFEELRRAAPLSRDPTEVTAIGAVEAAFKCCAAAIIVLTTTGRSAQLLSRYRPRAAVIAVTRSAQAARQVHLCRGVFPLLYREPPEAIWADDVDRRVQFGIESGKLRGFLRVGDLVIVVTGWRPGSGYTNIMRVLSIS,posex_set/posex_self_docking_set/5SCC_FBP/5SCC_FBP_protein.pdb,posex_set/posex_self_docking_set/5SCC_FBP/5SCC_FBP_ligand_start_conf.sdf
8D6M_9SL,NC(=O)OC[C@@H]1N=C(N)N2CCC(O)(O)[C@@]23N=C(N)N[C@@H]13,MALTFHTALYFTIVGLSFAASDARHVQWCTISHLEQKKCNDLVGSCNVPDITLACVYRSSTENCMAAIKDGQADAMFLDSGDVYKASLDHYNLKPIIAEPYSLHRELTKCLKHRQESLGGDKMVKGRYIPQCDEKGNYHPVQCHASTGYCWCVNANGEKIEGTNTTPVQTPPTCPSQVLTKCLKERQEALGGKRIAIGRYIPQCDEQGNYRPMQCHGSTGYCWCVNAIGEKIEGTNTPPGNTQPTCQSHDWDTCHYAVAVVKNSSTFQFGQLKGKRSCHSGLSKTDGWNAPVNVFVEKKLLPWDGLAKGSIERAVSKFFSASCIPGATETNLCKQCIGEEEKKCKSSHDEPYYGDHGAFRCLQEDKGDVAFLKNTALPDEHSGVYELLCPDNTRKPLNKYKECNLGKVPADAVVTRKAGDKTKDINDFLLEAQKKKCKLFGSPHGKDLMFDDSTTHLAPLPSEIDAFFFLGVKWYNAMKALTEDVKLPSKNKVRWCTINKPEMMKCKDWAAVSGGAIACTEASCPEHCVKQILKGEADAVTLDVQYMYMALMCGLLPAVEEYPNKDDFHPCQIPGSTIKDFGTKRAVALVKKSNKDIKWNNLKGKKSCHTHVGDIPGWVIPAGLISNQNDNIDIESFFGESCAPGSDTNSKLCKLCIGDPENPKASTRCSLSDKEAYYGNEGAFRCLVEKGDVAFVPHTVVFANTDGKNPAEWAKDLKSEDFEILCLDGSRAPVTNYRGCNLSGLPPRAIVTREESVSDVVRILINQQSLYGRNGFEKDMFQMFSSAKGQNLLFNDETQCLIEFDRQPKDIMEDYFGVRYYTAVYSASRSAVPSELIPACTFKHCSNSLEVLFQ,posex_set/posex_self_docking_set/8D6M_9SL/8D6M_9SL_protein.pdb,posex_set/posex_self_docking_set/8D6M_9SL/8D6M_9SL_ligand_start_conf.sdf
7RQ0_6I2,Cc1ccc2oc(C#Cc3cccc(CNCCN4CCN(Cc5cccc(C#Cc6oc7ccc(C)cc7c6CC(=O)O)c5)CC4)c3)c(CC(=O)O)c2c1,MHGEVDSSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACEWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNKKRKGGIGGYSAGERIVDIIATDIETKE,posex_set/posex_self_docking_set/7RQ0_6I2/7RQ0_6I2_protein.pdb,posex_set/posex_self_docking_set/7RQ0_6I2/7RQ0_6I2_ligand_start_conf.sdf
7N4W_P4V,COc1cc2c(cc1OC)[C@H]1Cc3ccc(OC)c(OC)c3CN1CC2,MVARPKSEDKKQALLEAATQAIAQSGIAASTAVIARNAGVAEGTLFRYFATKDELINTLYLHLYQDHCQSLIMELDRSITDAKMMIRFTWNSYISWGLNHPARHRAIRQLAVSEKLTKETKQRIEDMFPELRDILHRSVLMVFMSDEYSAFGKGLFYALAETTMDFAARDPARAGEYIALGFEAMWRALTREEQ,posex_set/posex_self_docking_set/7N4W_P4V/7N4W_P4V_protein.pdb,posex_set/posex_self_docking_set/7N4W_P4V/7N4W_P4V_ligand_start_conf.sdf
8R5T_Y4E,SC[C@H]1SC[C@@H]2Nc3ccccc3N21,GSGEIRPTIGQQMETGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR,posex_set/posex_self_docking_set/8R5T_Y4E/8R5T_Y4E_protein.pdb,posex_set/posex_self_docking_set/8R5T_Y4E/8R5T_Y4E_ligand_start_conf.sdf
8G4A_YL8,FC(F)(F)c1cc(-c2nn[nH]n2)cc(C(F)(F)F)c1,GAMDNVCQPTEFISRHNIEGIFTFVDHRCVATVGYQPQELLGKNIVEFCHPEDQQLLRDSFQQVVKLKGQVLSVMFRFRSKNQEWLWMRTSSFTFQNPYSDEIEYIICTNTNVKNSSQE,posex_set/posex_self_docking_set/8G4A_YL8/8G4A_YL8_protein.pdb,posex_set/posex_self_docking_set/8G4A_YL8/8G4A_YL8_ligand_start_conf.sdf
7S95_ADE,Nc1ncnc2[nH]cnc12,HMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE,posex_set/posex_self_docking_set/7S95_ADE/7S95_ADE_protein.pdb,posex_set/posex_self_docking_set/7S95_ADE/7S95_ADE_ligand_start_conf.sdf
8SZ6_XII,C[C@](O)(CC(=O)O)CC(O)O,MSLDSRLPAFRNLSPAARLDHIGQLLGLSHDDVSLLANAGALPMDIANGMIENVIGTFELPYAVASNFQINGRDVLVPLVVEEPSIVAAASYMAKLARANGGFTTSSSAPLMHAQVQIVGIQDPLNARLSLLRRKDEIIELANRKDQLLNSLGGGCRDIEVHTFADTPRGPMLVAHLIVDVRDAMGANTVNTMAEAVAPLMEAITGGQVRLRILSNLADLRLARAQVRITPQQLETAEFSGEAVIEGILDAYAFAAVDPYRAATHNKGIMNGIDPLIVATGNDWRAVEAGAHAYACRSGHYGSLTTWEKDNNGHLVGTLEMPMPVGLVGGATKTHPLAQLSLRILGVKTAQALAEIAVAVGLAQNLGAMRALATEGIQRGHMALHARNIAVVAGARGDEVDWVARQLVEYHDVRADRAVALLKQKRGQ,posex_set/posex_self_docking_set/8SZ6_XII/8SZ6_XII_protein.pdb,posex_set/posex_self_docking_set/8SZ6_XII/8SZ6_XII_ligand_start_conf.sdf
7P42_5I8,Cc1cc(C)nc(N2Cc3ccccc3C2=N)n1,GSISTAVIDAINSGATLKDINAIPDDMMDDIYSYAYDFYNKGRIEEAEVFFRFLCIYDFYNVDYIMGLAAIYQIKEQFQQAADLYAVAFALGKNDYTPVFHTGQCQLRLKAPLKAKECFELVIQHSNDEKLKIKAQSYLDAIQ,posex_set/posex_self_docking_set/7P42_5I8/7P42_5I8_protein.pdb,posex_set/posex_self_docking_set/7P42_5I8/7P42_5I8_ligand_start_conf.sdf
7TXK_LW8,C[N+](C)(C)[C@@H](Cc1c[nH]c(=S)[nH]1)C(=O)O,SHMEKENLIIAGKIGPEPEILANMYKLLIEENTSMTATVKPNFGTTSFLYEALKKGDIDIYPEFTGTVTESLLQPSPKVSHEPEQVYQVARDGIAKQDHLAYLKPMSYQNTYAVAVPKKIAQEYGLKTISDLKKVEGQLKAGFTLEFNDREDGNKGLQSMYGLNLNVATMQPALRYQAIHSGDIQITDAYSTDAELERYDLQVLEDDKQLFPPYQGAPLMKEALLKKHPELERVLNTLAGKITESQMSQLNYQVGVEGKSAKQVAKEFLQEQVC,posex_set/posex_self_docking_set/7TXK_LW8/7TXK_LW8_protein.pdb,posex_set/posex_self_docking_set/7TXK_LW8/7TXK_LW8_ligand_start_conf.sdf
7X4C_TLA,O=C(O)[C@H](O)[C@@H](O)C(=O)O,MSKFSESTLSGWTKPASVTEEDRIENTISMIKSAIKNDNNFDNLVYEVFVQGSYGNNTNVRTNSDIDVNIMLTSTFYSKYPEGKTNSDYGFTDGTITYNEYKNLILTALTNKFGTGNVTVGNKSIKITSNSYRVEADCIPSLLYRNYEYENSSSPNNYIEGIKYFASDNTSVVNYPKVHINNGIEKNNQTHKNYKRLVRVIKRLRNKMTAENHFTNENITSFLIECLIWNVPNNYINDYDTWDETIKQTLIFIKSSINDNSYKNWTEVSGMFYLFHNNRKWTSDDVSSFVNSLWSFMEYLEHHHHHH,posex_set/posex_self_docking_set/7X4C_TLA/7X4C_TLA_protein.pdb,posex_set/posex_self_docking_set/7X4C_TLA/7X4C_TLA_ligand_start_conf.sdf
8B2C_OVU,O=C(O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@@H]2O[C@@H]21,MKTVTVKNLIIGEGMPKIIVSLMGRDINSVKAEALAYREATFDILEWRVDHFMDIASTQSVLTAARVIRDAMPDIPLLFTFRSAKEGGEQTITTQHYLTLNRAAIDSGLVDMIDLELFTGDADVKATVDYAHAHNVYVVMSNHDFHQTPSAEEMVLRLRKMQALGADIPKIAVMPQSKHDVLTLLTATLEMQQHYADRPVITMSMAKEGVISRLAGEVFGSAATFGAVKQASAPGQIAVNDLRSVLMILHNA,posex_set/posex_self_docking_set/8B2C_OVU/8B2C_OVU_protein.pdb,posex_set/posex_self_docking_set/8B2C_OVU/8B2C_OVU_ligand_start_conf.sdf
7ZEH_IPQ,Nc1nc(O)c2c(n1)[nH]c[n+]2Cc1ccc(F)c(F)c1,RSMAEEVSTLMKATVLMRQPGRVQEIVGALRKGGGDRLQVISDFDMTLSRFAYNGKRCPSSYNILDNSKIISEECRKELTALLHHYYPIEIDPHRTVKEKLPHMVEWWTKAHNLLCQQKIQKFQIAQVVRESNAMLREGYKTFFNTLYHNNIPLFIFSAGIGDILEEIIRQMKVFHPNIHIVSNYMDFNEDGFLQGFKGQLIHTYNKNSSACENSGYFQQLEGKTNVILLGDSIGDLTMADGVPGVQNILKIGFLNDKVEERRERYMDSYDIVLEKDETLDVVNGLLQHILCQGVQLEMQGP,posex_set/posex_self_docking_set/7ZEH_IPQ/7ZEH_IPQ_protein.pdb,posex_set/posex_self_docking_set/7ZEH_IPQ/7ZEH_IPQ_ligand_start_conf.sdf
8E9O_MAE,O=C(O)/C=C\C(=O)O,MAHHHHHHVGTFENITAAPADPILGLADLFRADERPGKINLGIGVYFDETGKIPVLTSVKKAEQYLLENETTKYYLGIDGIPEFGRCTQELLFGKGSALINDKRARTAQTPGGTGALRVAADFLAKNTSVKRVWVSNPSWPNHKSVFNSAGLEVREYAYYDAENHTLDFDALINSLNEAQAGDVVLFHGCCHNPTGIDPTLEQWQTLAQLSVEKGWLPLFDFAYQGFARGLEEDAEGLRAFAAMHKELIVASSYSKNFGLYNERVGACTLVAADSETVDRAFSQMKAAIRANYSNPPAHGASVVATILSNDALRAIWEQELTDMRQRIQRMRQLFVNTLQEKGANRDFSFIIKQNGMFSFSGLTKEQVLRLREEFGVYAVASGRVNVAGMTPDNMAPLCEAIVAVL,posex_set/posex_self_docking_set/8E9O_MAE/8E9O_MAE_protein.pdb,posex_set/posex_self_docking_set/8E9O_MAE/8E9O_MAE_ligand_start_conf.sdf
7U0U_FK5,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,MSGSHHHHHHHHGGENLYFQGSTPHPYWLPNFMDVFTWSLPFVGEKITDMLIAILNTCGGGSSGGSTSGGSSGGGMEQPSEPNNAAMYDARRRRASVGTSQLLDNIVSASNFDRDEVDRLRKRFMKLDKDSSGTIDRDEFLSLPQVSSNPLATRMIAIFDEDGGGDVDFQEFVSGLSAFSSKGNKEEKLRFAFKVYDIDRDGYISNGELFIVLKMMVGNNLKDVQLQQIVDKTIMEADKDRDGKISFEEFTEMVENTDVSLSMTLSMF|MGSSHHHHHHSSGLVPRGSHMGVTKELKSPGNGVDFPKKGDFVTIHYTGRLTDGSKFDSSVDRNEPFQTQIGTGRVIKGWDEGVPQMSLGEKAVLTITPDYGYGARGFPGVIPGNSTLIFEVELLGINNKRA,posex_set/posex_self_docking_set/7U0U_FK5/7U0U_FK5_protein.pdb,posex_set/posex_self_docking_set/7U0U_FK5/7U0U_FK5_ligand_start_conf.sdf
7R9N_F97,CC(C)n1ncc2cnc(Nc3cc([C@@H]4CCNC4)nc(N4CCC(F)(F)C4)n3)cc21,GSDVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGAELARRLEFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKNGNS,posex_set/posex_self_docking_set/7R9N_F97/7R9N_F97_protein.pdb,posex_set/posex_self_docking_set/7R9N_F97/7R9N_F97_ligand_start_conf.sdf
8X0I_IDC,OC[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)c2nccn21,SANNPWTGFQIFLSPYYANEVAAAAKQITDPTLSSKAASVANIPTFTWLDSVAKIPDLGTYLASASALGKSTGTKQLVQIVIYDLPDRDCAAKASNGEFSIANNGQANYENYIDQIVAQIQQFPDVRVVAVIEPDSLANLVTNLNVQKCANAKTTYLASVNYALTNLAKVGVYMYMDAGHAGWLGWPANLSPAAQLFTQVWQNAGKSPFIKGLATNVANYNALQAASPDPITQGNPNYDEIHYINALAPLLQQAGWDATFIVDQGRSGVQNIRQQWGDWCNIKGAGFGTRPTTNTGSQFIDSIVWVKPGGESDGTSNSSSPRYDSTCSLPDAAQPAPEAGTWFQAYFQTLVSAANPPL,posex_set/posex_self_docking_set/8X0I_IDC/8X0I_IDC_protein.pdb,posex_set/posex_self_docking_set/8X0I_IDC/8X0I_IDC_ligand_start_conf.sdf
7TXH_GNP,Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,GPMATSAVPSDNLPTYKLVVVGDGGVGKSALTIQFFQKIFVPDYDPTIEDSYLKHTEIDNQWAILDVLDTAGREEFSAMREQYMRTGDGFLIVYSVTDKASFEHVDRFHQLILRVKDRESFPMILVANKVDLMHLRKITREQGKEMATKHNIPYIETSAKDPPLNVDKAFHDLVRVIRQQ|GPGTRKKSSNAEVIKELNKCREENSMRLDLSKRSIHILPSSIKELTQLTELYLYSNKLQSLPAEVGCLVNLMTLALSENSLTSLPDSLDNLKKLRILDLRHNKLREIPSVVYRLDSLTTLYLRFNRITTVEKDIKNLSKLSMLSIRENKIKQLPAEIGELCNLITLDVAHNQLEHLPKEIGNCTQITNLDLQHNELLDLPDTIGNLSSLSRLGLRYNRLSAIPRSLAKCSALEELNLENNNISTLPESLLSSLVKLNSLTLARNCFQLYPVGGPSQFSTIYSLNMEHNRINKIPFGIFSRAKVLSKLNMKDNQLTSLPLDFGTWTSMVELNLATNQLTKIPEDVSGLVSLEVLILSNNLLKKLPHGLGNLRKLRELDLEENKLESLPNEIAYLKDLQKLVLTNNQLTTLPRGIGHLTNLTHLGLGENLLTHLPEEIGTLENLEELYLNDNPNLHSLPFELALCSKLSIMSIENCPLSHLPPQIVAGGPSFIIQFLKMQGPYRAMV|SNALNLDSIIGRLLEVQGSRPGKNVQLTENEIRGLCLKSREIFLSQPILLELEAPLKICGDIHGQYYDLLRLFEYGGFPPESNYLFLGDYVDRGKQSLETICLLLAYKIKYPENFFLLRGNHECASINRIYGFYDECKRRYNIKLWKTFTDCFNCLPIAAIVDEKIFCCHGGLSPDLQSMEQIRRIMRPTDVPDQGLLCDLLWSDPDKDVQGWGENDRGVSFTFGAEVVAKFLHKHDLDLICRAHQVVEDGYEFFAKRQLVTLFSAPNYCGEFDNAGAMMSVDETLMCSFQILKPAD,posex_set/posex_self_docking_set/7TXH_GNP/7TXH_GNP_protein.pdb,posex_set/posex_self_docking_set/7TXH_GNP/7TXH_GNP_ligand_start_conf.sdf
9BOH_A1AQW,Cc1ncc(COP(=O)(O)O)c(/C=N/CC(=O)O)c1O,KRDEALFELIALEEKRQREGLELIASENFVSKQVREAVGSVLTNKYAEGYPGARYYGGCEVIDRVESLAIERAKALFGAAWANVQPHSGSQANMAVYMALMEPGDTLMGMDLAAGGHLTHGSRVNFSGKLYKVVSYGVRPDTELIDLEEVRRLALEHRPKVIVAGASAYPRFWDFKAFREIADEVGAYLVVDMAHFAGLVAAGLHPNPLPYAHVVTSTTHKTLRGPRGGLILSNDPELGKRIDKLIFPGIQGGPLEHVIAGKAVAFFEALQPEFKEYSRLVVENAKRLAEELARRGYRIVTGGTDNHLFLVDLRPKGLTGKEAEERLDAVGITVNKNAIPFDPKPPRVTSGIRIGTPAITTRGFTPEEMPLVAELIDRALLEGPSEALREEVRRLALAHPMP,posex_set/posex_self_docking_set/9BOH_A1AQW/9BOH_A1AQW_protein.pdb,posex_set/posex_self_docking_set/9BOH_A1AQW/9BOH_A1AQW_ligand_start_conf.sdf
7G04_WXZ,O=C(O)[C@@H]1CCCc2ccc(-c3ccc(Cl)cc3)cc21,GSHMATVQQLEGRWRLVDSKGFDEYMKELGVGIALRKMGAMAKPDCIITCDGKNLTIKTESTLKTTQFSCTLGEKFEETTADGRKTQTVCNFTDGALVQHQEWDGKESTITRKLKDGKLVVECVMNNVTCTRIYEKVE,posex_set/posex_self_docking_set/7G04_WXZ/7G04_WXZ_protein.pdb,posex_set/posex_self_docking_set/7G04_WXZ/7G04_WXZ_ligand_start_conf.sdf
7R3L_I1Q,Cc1ccc2c(c1)sc1nncn12,SMDMKQQNFCVVELLPSDPEYNTVASKFNQTCSHFRIEKIERIQNPDLWNSYQAKKKTMDAKNGQTMNEKQLFHGTDAGSVPHVNRNGFNRSYAGKNAVAYGKGTYFAVNANYSANDTYSRPDANGRKHVYYVRVLTGIYTHGNHSLIVPPSKNPQNPTDLYDTVTDNVHHPSLFVAFYDYQAYPEYLITFRK,posex_set/posex_self_docking_set/7R3L_I1Q/7R3L_I1Q_protein.pdb,posex_set/posex_self_docking_set/7R3L_I1Q/7R3L_I1Q_ligand_start_conf.sdf
7USG_O6O,O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)cccc12,GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_self_docking_set/7USG_O6O/7USG_O6O_protein.pdb,posex_set/posex_self_docking_set/7USG_O6O/7USG_O6O_ligand_start_conf.sdf
7VYJ_CA0,NC(=O)O[P@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,MLVLGLNGNFSAADTDVVPQLGEVFFHDSAASLIRDGELVAAVEEERLNRIKKTTKFPLNAVRECLALAGARPEDVDAVGYYFPENHIDTVLNHLYTEYPRAPLRYSRELIRQRLKEGLGWDLPDEKLVYVPHHEAHAYSSYLHSGMDSALVLVLDGRGELHSGTVYRAEGTRLEKLADYPVPKSLGGLYLNATYLLGYGFGDEYKVMGLAPWGNPETYRDTFAKLYTLQDNGEYELHGNIMVPNLVSPLFYAEGFRPRRKGEPFTQAHRDFAAALQETVEKIVLHILEYWAKTSGHSRLCFGGGVAHNSSLNGLILKSGLFDEVFVHPASHDAGAGEGAAYAAAASLGTLERPGKRLLSASLGPALGGREQIRARLADWAPLIDVEFPDDAVETAAGLLAEGQVLGWAYGRSEFGPRALGHRSIVADARPEENRTRINAMVKKREGFRPFAPVVTAEAARDYFDLSGADGNHEFMSFVVPVLPERRTELGAVTHVDGTARVQVVSAESGERFHRLVRRFGELTGTPVLLNTSFNNNAEPIVQSLDDVVTSFLTTDLDVLVVEDCLVRGKASPDLGVLVPRFRPVTRLVERRTAGPDASAGAKTHEIHLDYDGGPSAKVSPELYELLGAVDGTTTLGDLAKTVGGLSDALATEVFALWEQRFLTLAPAGDIGPLADDGTRGH,posex_set/posex_self_docking_set/7VYJ_CA0/7VYJ_CA0_protein.pdb,posex_set/posex_self_docking_set/7VYJ_CA0/7VYJ_CA0_ligand_start_conf.sdf
7R1M_BTB,OCCN(CCO)C(CO)(CO)CO,MELFSSDSEFTKIDSEAKPASTLPAFGFAFNASAPQFASLFTPLLLPSVSPNPNITVPVINDTVSVGDGIRILRAGIYQISYTLTISLDNVPTAPEAGRFFLSLNTPANIIPGSGTAVRSNVIGTGEVDVSSGVILINLNPGDLIQIVPVELIGTVDIRAAALTVAQISRPHHHHHH,posex_set/posex_self_docking_set/7R1M_BTB/7R1M_BTB_protein.pdb,posex_set/posex_self_docking_set/7R1M_BTB/7R1M_BTB_ligand_start_conf.sdf
7PLJ_3PO,O=P(O)(O)OP(=O)(O)OP(=O)(O)O,MDIDNYRVKPGKRVKLSDWATNDDAGLSKEEGQAQTAKLAGELAEWQERLYAEGKQSLLLILQARDAAGKDGAVKKVIGAFNPAGVQITSFKQPSAEELSHDFLWRIHQKAPAKGYVGVFNRSQYEDVLVTRVYDMIDDKTAKRRLEHIRHFEELLTDNATRIVKVYLHISPEEQKERLQARLDNPGKHWKFNPGDLKDRSNWDKFNDVYEDALTTSTDDAPWYVVPADRKWYRDLVLSHILLGALKDMNPQFPAIDYDPSKVVIH,posex_set/posex_self_docking_set/7PLJ_3PO/7PLJ_3PO_protein.pdb,posex_set/posex_self_docking_set/7PLJ_3PO/7PLJ_3PO_ligand_start_conf.sdf
8Q6Y_HPA,O=c1[nH]cnc2nc[nH]c12,MTTHAEPILDFPFTWDGTHLPAQIGELAPVVKVRTIAGAEAWLVSSYELVKQVLEDDRFSLKNTSDPGVPRQYALTIPPEVVNNMGNITGAGLRKAVMKAINPKAPGLQEWMEEHAAELVERMLKHGAPVDIRSMFTDPFSEAMHCQILGIPHEAAPLLSESLPIAFMNSPREIPAARLNWDRDIAYMTARLDDTEQGLIGDLAKLRGTEGYEHVSDEMFATVGVTLFGAGVISTAGFLAMALVTLLTHPEEADHLADHPELMPQAVDELLRINLSIGDGLPRLAMEDMTLGEVEVKKGELVLVLPEGANFDPSVFPDPHRLDFTRANSSAHFSFGGGSHYCPATALGKKHAEIGLRAVLAAMPRLRLAVPVEQLVWRTGFMKRLPERLPVMWGSGLVPRGSHHHHHHHH,posex_set/posex_self_docking_set/8Q6Y_HPA/8Q6Y_HPA_protein.pdb,posex_set/posex_self_docking_set/8Q6Y_HPA/8Q6Y_HPA_ligand_start_conf.sdf
7MCJ_FD7,CCNC(=N)NC(=O)Nc1c(CC)cccc1CC,MAHHHHHHMTELRPFYEESQSIYDVSDEFFSLFLDPTMAYTCAYFEREDMTLEEAQNAKFDLALDKLHLEPGMTLLDIGCGWGGGLQRAIENYDVNVIGITLSRNQFEYSKAKLAKIPTERSVQVRLQGWDEFTDKVDRIVSIGAFEAFKMERYAAFFERSYDILPDDGRMLLHTILTYTQKQMHEMGVKVTMSDVRFMKFIGEEIFPGGQLPAQEDIFKFAQAADFSVEKVQLLQQHYARTLNIWAANLEANKDRAIALQSEEIYNKYMHYLTGCEHFFRKGISNVGQFTLTK,posex_set/posex_self_docking_set/7MCJ_FD7/7MCJ_FD7_protein.pdb,posex_set/posex_self_docking_set/7MCJ_FD7/7MCJ_FD7_ligand_start_conf.sdf
7VNX_GMP,Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1,ENLYFQGMTFEHIISSKRLEGFLRHLAEEGVGGVEPLAKGTTSLVFTGVLGGRKVVIKLQRPDSPRSNFEKEAELTKIASTFGVTPPIIGLGEFEGLPYLIREFAEGEPILFADVEKEHLFRIVEKTALLDRLGIDHGQIQGGKHIIIGEDVYLIDFEKAGFRKPNNLTSAMAMIFIGENAISKRVREKFGLDEKFREEMKDALRHYKRTGSLSRLLSLLSGL,posex_set/posex_self_docking_set/7VNX_GMP/7VNX_GMP_protein.pdb,posex_set/posex_self_docking_set/7VNX_GMP/7VNX_GMP_ligand_start_conf.sdf
7SCW_GSP,Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OP(O)(O)=S)[C@@H](O)[C@H]2O)c(=O)[nH]1,GSMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEKMSKDGKKKKKKSKTKCVIM|QQNEDTCIIRISVEDNNGNMYKSIMLTSQDKTPAVIQRAMLKHNLDSDPAEEYELVQVISEDKELVIPDSANVFYAMNSQVNFDFILRKKNSM,posex_set/posex_self_docking_set/7SCW_GSP/7SCW_GSP_protein.pdb,posex_set/posex_self_docking_set/7SCW_GSP/7SCW_GSP_ligand_start_conf.sdf
7P5L_MLT,O=C(O)C[C@@H](O)C(=O)O,MTLVPDLTATDLARHRWLTDNSWTRPTWTVAELEAAKAGRTISVVLPALNEEETVGGVVETIRPLLGGLVDELIVLDSGSTDDTEIRAMAAGARVISREVALPEVAPQPGKGEVLWRSLAATTGDIIVFIDSDLIDPDPMFVPKLVGPLLLSEGVHLVKGFYRRPLKTSGSEDAHGGGRVTELVARPLLAALRPELTCVLQPLGGEYAGTRELLMSVPFAPGYGVEIGLLVDTYDRLGLDAIAQVNLGVRAHRNRPLTDLAAMSRQVIATLFSRCGVPDSGVGLTQFFADGDGFSPRTSEVSLVDRPPMNTLRGKLAAALEHHHHHH,posex_set/posex_self_docking_set/7P5L_MLT/7P5L_MLT_protein.pdb,posex_set/posex_self_docking_set/7P5L_MLT/7P5L_MLT_ligand_start_conf.sdf
8U19_3DM,COc1cccc(OC)c1O,GAMTTKHTTAGDTQEWLATVTVEQLENDPYPIFERLRREAPVAWIPAAHAWVASTWEACRTIADDATNFRGGTSPMHERVLGTDHILGAEGETHQDLRAAVDPPLKPRAFRPLLEEQVRPTVRRYLEAIRGQGKAELMADYFEPISVRCVGDVIGLTDVDSDTLRRWFHALARGIANTAMDAEGRFTNPGGFAPADEAGAEIREVLEPLVAKLSAEPDGSALSHYLHHGRPHGDPRTLEQLLPSLKVIILGGLQEPGHQCAATFLGLTTRPEQLKRVTEDATLLPRALTEGLRWMSPVFSASSRLPLREITMGEATMRPGQTVWLSYGSANRDEAVFDRPDVFDLDRATHPHLAFGTGRHLCSGSAYAPQVARIALEELFTAFPSIRLDPAHEVPVWGWLFRGPQRLDVLWD,posex_set/posex_self_docking_set/8U19_3DM/8U19_3DM_protein.pdb,posex_set/posex_self_docking_set/8U19_3DM/8U19_3DM_ligand_start_conf.sdf
8PFL_YH8,CCc1c(N2CCN(C(=O)c3ncccc3O)CC2)c(=O)n2nc(C3=CCOCC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1C,GPNEGEEDDDKDFLWPAPNEEQVTCLKMYFGHSSFKPVQWKVIHSVLEEARDNVAVMATGYGKSLCFQYPPVYVGKIGLVISPLISLMEDQVLQLKMSNIPACFLGSAQSANVLTDIKLGKYRIVYVTPEYCSGNMGLLQQLEADIGITLIAVDEAHCISEWGHDFRDSFRKLGSLKTALPMVPIVALTATASSSIREDIVRCLNLRNPQITCTGFDRPNLYLEVRRKTGNILQDLQPFLVKTSSHWEFEGPTIIYCPSRKMTQQVTGELAKLNLSCGTYHAGMSFSTAKDIHHRFVRDEIQCVIATIAFGMGINKADIRQVIHYGAPKDMESYYQEIGRAGRDGLQSSCHVLWAPADINLNRHLLTEIRNAKFRLYKLKMMAKMEKYLHSSRCRRQIILSHFEDKQVQKASLGIMGTEKCCDNCRSALDH,posex_set/posex_self_docking_set/8PFL_YH8/8PFL_YH8_protein.pdb,posex_set/posex_self_docking_set/8PFL_YH8/8PFL_YH8_ligand_start_conf.sdf
7PRI_7TI,Nc1cc(C(Cl)=C(Cl)Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,NGSEWSYTNILTGPETWHEHYKNMCSGYYQSPIDLKTDISTLDLKLKTVIIYRNTSSTETTTIQNNGHSAEVKFPRNTWFISFDGILDYKYEIIQMHFHWGNTDDRGSEHTIDGFRFPLEGHIVSFRRQMYSSPSEAIGRPGGLAVLGIMHQIVESIKYEQTAFKAYNNFSGVLNSQFVPPNNSTIDDINLALLLSLLNPSRYFRYLGSLTTPPCTENVLWTVFIDPVLITREQINLFRNLPYGSNEKQTRMGDNFRPIQLLNPIDTLASRTLYRATARG,posex_set/posex_self_docking_set/7PRI_7TI/7PRI_7TI_protein.pdb,posex_set/posex_self_docking_set/7PRI_7TI/7PRI_7TI_ligand_start_conf.sdf
8A91_LC9,NCc1c[nH]c2ccccc12,GSLKVYNSIFDQAYEIDPIPYFNFLRKHDPVHYEESIDAYFVSKYKDVKYILKNNDIFNTKTLAKRAEPVMKDRVLAQMSGQEHKSKKKAILKGMTGKYLENLMPILEKRTNDIINKHIEKKEIDIVNDFGKVFAVQSSMDLLGINLENYEKIREWHNGIAKFITSFNLNDEEIKYSLECSDKLENYLMPLIKDRKKSTKDDLISILLEYKNDENSISDTEILALSLNVLLAATEPVDKTLAYLFYNLLKNPEQFESVKNNPKLIKNAIIETLRYNSPVQLIPRQVSKPFIFNNTELQAGDTVICMIGSANRDPEAYSNPDEFNIHRSSDNKSPFTSHSQNLSFGTGVHTCVGASFSLIQLEMVAILLLKRLKNIKLKTMEITEHGIYTRGPKSMVISFD,posex_set/posex_self_docking_set/8A91_LC9/8A91_LC9_protein.pdb,posex_set/posex_self_docking_set/8A91_LC9/8A91_LC9_ligand_start_conf.sdf
7FD0_3IU,CN1C(=O)[C@@H](NC(=O)c2nnc(Cc3ccccc3)[nH]2)COc2ccc(C#CC3CCOCC3)cc21,GASMQPDMSLNVIKMKSSDFLESAELDSGGFGKVSLAFHRTQGLMIMKTVYKGPNCIEHNEALLEEAKMMNRLRHSRVVKLLGVIIEEGKYSLVMEYMEKGNLMHVLKAEMSTPLSVKGRIILEIIEGMAYLHGKGVIHKDLKPENILVDNDFHIKIADLGLASFKMWSKLNNEEHNELREVDGTAKKNGGTLYYMAPEHLNDVNAKPTEKSDVYSFAVVLWAIFANKEPYENAIAEQQLIMAIKSGNRPDVDDITEYCPREIISLMKLCWEANPEARPTFPGIEEKFRPFYLSQLE,posex_set/posex_self_docking_set/7FD0_3IU/7FD0_3IU_protein.pdb,posex_set/posex_self_docking_set/7FD0_3IU/7FD0_3IU_ligand_start_conf.sdf
6ZK5_IMH,O=c1[nH]cnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12,MGSSHHHHHHSQDPNSKIIIDTDPGIDDSVAILMAFQMPGVQVLGLTTIFGNCTTEHATRNALILCEKASHLEVPVAEGSHEPLKGGKPHVADFVHGPDGLGNVDLPDPTIKKVEESATDFLVDKVSRFPGEVSVLALGPLTNIALAIKKDPSFVKNVKKIVVLGGAFFAAGNATPSAEANIHSDPEAADMVFTSGADIYVVGLNITTQVSFTDKDLLELRNSQGKYAQFLCDVCKFYLDWHTESYGAPVIFLHDPVSFAALVRPELFTFKKGVVRVETQGICVGHTSMDMLLKKWNSENPWTGYSPISVAWTVDVPKVVAFVKELVTKP,posex_set/posex_self_docking_set/6ZK5_IMH/6ZK5_IMH_protein.pdb,posex_set/posex_self_docking_set/6ZK5_IMH/6ZK5_IMH_ligand_start_conf.sdf
8IZC_S93,CC(C)(C)NC(=O)N1CCn2nc(-c3ccc(F)c(Cl)c3)c(C(N)=O)c2C1,MVGNRYRLGRKIGSGSFGDIYLGTDIAAGEEVAIKLECVKTKHPQLHIESKIYKMMQGGVGIPTIRWCGAEGDYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYRENKNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPWQGLKAATKRQKYERISEKKMSTPIEVLCKGYPSEFATYLNFCRSLRFDDKPDYSYLRQLFRNLFHRQGFSYDYVFDWNMLK,posex_set/posex_self_docking_set/8IZC_S93/8IZC_S93_protein.pdb,posex_set/posex_self_docking_set/8IZC_S93/8IZC_S93_ligand_start_conf.sdf
7SI4_9JL,Cc1cc(CN(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12,DAVSIESGTNTERPDTPTNTPNAPGRKSWGKGKWKSKKCKYSFKCVNSLKEDHNQPLFGVQFNWHSKEGDPLVFATVGSNRVTLYECHSQGEIRLLQSYVDADADENFYTCAWTYDSNTSHPLLAVAGSRGIIRIINPITMQCIKHYVGHGNAINELKFHPRDPNLLLSVSKDHALRLWNIQTDTLVAIFGGVEGHRDEVLSADYDLLGEKIMSCGMDHSLKLWRINSKRMMNAIKESYDYNPNKTNRPFISQKIHFPDFSTRDIHRNYVDCVRWLGDLILSKSCENAIVCWKPGKMEDDIDKIKPSESNVTILGRFDYSQCDIWYMRFSMDFWQKMLALGNQVGKLYVWDLEVEDPHKAKCTTLTHHKCGAAIRQTSFSRDSSILIAVCDDASIWRWDRLR,posex_set/posex_self_docking_set/7SI4_9JL/7SI4_9JL_protein.pdb,posex_set/posex_self_docking_set/7SI4_9JL/7SI4_9JL_ligand_start_conf.sdf
8J5E_TQR,Nc1ccn([C@@H]2S[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1,STSDRLKAVEQNLYDVGPRDSGGREGPGHYIAISGNTAAGKTTLIETLAGSLRAAGADAVGVSERVFHHRYLKLMFSASADFAFPIQLSFMLERHLLLLDNLVRRGRTMVMERSHLDDAMFVREHVASGAITAAQQRAYTEVSGELNARIPNPDLIVLMNPEPELSLERLARAEAEGSRPREFPSDAAKRAWVHRWYDLYQELHDDYRRRAVDGDLRGTELLELDAAASPEEKIATVTARARSLVVG,posex_set/posex_self_docking_set/8J5E_TQR/8J5E_TQR_protein.pdb,posex_set/posex_self_docking_set/8J5E_TQR/8J5E_TQR_ligand_start_conf.sdf
7F06_0TL,Nc1ncnc2c1ncn2[C@]1(CO)O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,MGSSHHHHHHSSGLVPRGSHMTLTHTITIGDVRRELPIVRVADDARIAFLKLYGDVELTVACARALAGRMPADVDVIVGPETGGILLAHELAEHSGRPYVIARKKLRPNMVKPLRVPVQSIGTPGQQELFLGEDDAALIKGRRVAVVDEVISSGGTLKALHELVAAAGGTVQQVLTVATEGERRPDVESLLHLPVYTD,posex_set/posex_self_docking_set/7F06_0TL/7F06_0TL_protein.pdb,posex_set/posex_self_docking_set/7F06_0TL/7F06_0TL_ligand_start_conf.sdf
7QLU_PG5,COCCOCCOCCOC,MSSPLKNALVTAMLAGGALSSPTKQHVGIPVNASPEVGPGKYSFKQVRNPNYKFNGPLSVKKTYLKYGVPIPAWLEDAVQNSTSGLAERSTGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGATTPTLGFASK,posex_set/posex_self_docking_set/7QLU_PG5/7QLU_PG5_protein.pdb,posex_set/posex_self_docking_set/7QLU_PG5/7QLU_PG5_ligand_start_conf.sdf
8V4A_YAR,CCSCC/C(=N\C=C1\C(COP(=O)(O)O)=CNC(C)=C1O)C(=O)O,MAKRIVEPFRIKMVEKIRVPSREEREAALKEAGYNPFLLPSSAVYIDLLTDSGTNAMSDHQWAAMITGDEAYAGSRNYYDLKDKAKELFNYDYIIPAHQGRGAENILFPVLLKYKQKEGKAKNPVFISNFHFDTTAAHVELNGCKAINIVTEKAFDSETYDDWKGDFDIKKLKENIAQHGADNIVAIVSTVTCNSAGGQPVSMSNLKEVYEIAKQHGIFVVMDSARFCENAYFIKARDPKYKNATIKEVIFDMYKYADALTMSAKKDPLLNIGGLVAIRDNEEIFTLARQRCVPMEGFVTYGGLAGRDMAAMVQGLEEGTEEEYLHYRIGQVKYLGDRLREAGIPIQYPTGGHAVFVDCKKLVPQIPGDQFPAQAVINALYLESGVRAVEIGSFLLGRDPATGEQKHADMEFMRLTIARRVYTNDHMDYIADALIGLKEKFATLKGLEFEYEPPVLRHFTARLKPIE,posex_set/posex_self_docking_set/8V4A_YAR/8V4A_YAR_protein.pdb,posex_set/posex_self_docking_set/8V4A_YAR/8V4A_YAR_ligand_start_conf.sdf
8TNB_IQM,CNCc1ccc(-c2cc3cc(F)cc(C(N)=O)c3o2)cc1,SDAQEILSRLNSVLEAAWKTILNLASATDAAEKAYKEGREEDLATYLDQAASYQSQVDQYAVETVRLLAELKKVFPDEEADRALQIAEKLLKTVQEASKTLDTAVAAAANGDEETFAKAFNQFVSLGNQADTLFTQLQRTLTNLNKK,posex_set/posex_self_docking_set/8TNB_IQM/8TNB_IQM_protein.pdb,posex_set/posex_self_docking_set/8TNB_IQM/8TNB_IQM_ligand_start_conf.sdf
7TSG_KL0,Cc1cc(N)nc(CCCN(C)C)c1,APASLLPPAPEHSPPSSPLTQPPEGPKFPRVKNWEVGSITYDTLSAQAQQDGPCTPRRCLGSLVFPRKLQGRPSPGPPAPEQLLSQARDFINQYYSSIKRSGSQAHEQRLQEVEAEVAATGTYQLRESELVFGAKQAWRNAPRCVGRIQWGKLQVFDARDCRSAQEMFTYICNHIKYATNRGNLRSAITVFPQRCPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGWTPGNGRFDVLPLLLQAPDEPPELFLLPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFPAAPFSGWYMSTEIGTRNLCDPHRYNILEDVAVCMDLDTRTTSSLWKDKAAVEINVAVLHSYQLAKVTIVDHHAATASFMKHLENEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYFLSPAFRYQPDPW,posex_set/posex_self_docking_set/7TSG_KL0/7TSG_KL0_protein.pdb,posex_set/posex_self_docking_set/7TSG_KL0/7TSG_KL0_ligand_start_conf.sdf
7MLP_ZJ4,Cc1cccc(C)c1-c1ccc(C(=O)O)s1,MIFPKQYPIINFTTAGATVQSYTNFIRAVRGRLTTGADVRHEIPVLPNRVGLPINQRFILVELSNHAELSVTLALDVTNAYVVGYRAGNSAYFFHPDNQEDAEAITHLFTDVQNRYTFAFGGNYDRLEQLAGNLRENIELGNGPLEEAISALYYYSTGGTQLPTLARSFIICIQMISEAARFQYIEGEMRTRIRYNRRSAPDPSVITLENSWGRLSTAIQESNQGAFASPIQLQRRNGSKFSVYDVSILIPIIALMVYRCAPPPSSQF,posex_set/posex_self_docking_set/7MLP_ZJ4/7MLP_ZJ4_protein.pdb,posex_set/posex_self_docking_set/7MLP_ZJ4/7MLP_ZJ4_ligand_start_conf.sdf
7VWS_83B,CC(C)=CCC[C@H](C)CCO[P@](=O)(O)OP(=O)(O)O,MKHHHHHHHHGGLVPRGSHGGSTIVQELDQAGITDSGLRADYITVSRLFREIGRGRYLGRYMFPAAKRPYFDAFITFVAYVDNLTDDIKHSVEVRARRLDEWERTYLAVAKGDAPSADRPLSRSEQTDAAVARALVHTLRTWDLPYLRVPEFVDGNRKALTTYEYANDEALDEFLETVTLLPAVWINQIFEPRSAEAEELCRHTITAFQLLDFIWDLREDLDLGRLYLPMEHLDRFGVTRADLDRQIGSGHLTDDVRELLRFEIGRAKKHLDAGRGWPQSLHPTSRTFMEADIQLHDSMFPQLTKNGYAFFKTAKAGLGLTSGLMIARTASAIARARKINQQAIRGGYRVRAPFQDGVTE,posex_set/posex_self_docking_set/7VWS_83B/7VWS_83B_protein.pdb,posex_set/posex_self_docking_set/7VWS_83B/7VWS_83B_ligand_start_conf.sdf
8HTB_ZI9,C#Cc1cnc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1,GHMATLKVIGVGGGGNNAVNRMIDHGMNNVEFIAINTDGQALNLSKAESKIQIGEKLTRGLGAGANPEIGKKAAEESREQIEDAIQGADMVFVTSGMGGGTGTGAAPVVAKIAKEMGALTVGVVTRPFSFEGRKRQTQAAAGVEAMKAAVDTLIVIPNDRLLDIVDKSTPMMEAFKEADNVLRQGVQGISDLIAVSGEVNLDFADVKTIMSNQGSALMGIGVSSGENRAVEAAKKAISSPLLETSIVGAQGVLMNITGGESLSLFEAQEAADIVQDAADEDVNMIFGTVINPELQDEIVVTVIATGFD,posex_set/posex_self_docking_set/8HTB_ZI9/8HTB_ZI9_protein.pdb,posex_set/posex_self_docking_set/8HTB_ZI9/8HTB_ZI9_ligand_start_conf.sdf
8VQ3_A1AC4,C[C@@H](OCC1CCCCC1)[C@H](NC(=O)[C@@H]1CN(C(=O)c2cncs2)CC12CN(C(=O)[C@H]1CC1(C)C)C2)C(=O)N1CCOCC1,MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL|GSIIAPSRGSPLPVLSWANREEVWKIMLNKEKTYLRDQHFLEQHPLLQPKMRAILLDWLMEVCEVYKLHRETFYLAQDFFDRYMATQENVVKTLLQLIGISSLFIAAKLEEIYPPKLHQFAYVTDGACSGDEILTMELMIMKALKWRLSPLTIVSWLNVYMQVAYLNDLHEVLLPQYPQQIFIQIAELLDLCVLDVDCLEFPYGILAASALYHFSSSELMQKVSGYQWCDIENCVKWMVPFAMVIRETGSSKLKHFRGVADEDAHNIQTHRDSLDLLDKARAKKA,posex_set/posex_self_docking_set/8VQ3_A1AC4/8VQ3_A1AC4_protein.pdb,posex_set/posex_self_docking_set/8VQ3_A1AC4/8VQ3_A1AC4_ligand_start_conf.sdf
8OV7_W3W,C[C@@H](c1cccc(-c2cnc[nH]2)c1)n1cc(-c2cc(F)cc(F)c2)c(=O)[nH]c1=O,GDSDISSPLLQNTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARVMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIG,posex_set/posex_self_docking_set/8OV7_W3W/8OV7_W3W_protein.pdb,posex_set/posex_self_docking_set/8OV7_W3W/8OV7_W3W_ligand_start_conf.sdf
8XM4_XC9,N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1,MGSSHHHHHHSAKETFYITTPIYYPSGNLHIGHAYSTVAGDVIARYKRMQGYDVRYLTGTDEHGQKIQEKAQKAGKTEIEYLDEMIAGIKQLWAKLEISNDDFIRTTEERHKHVVEQVFERLLKQGDIYLGEYEGWYSVPDETYYTESQLVDPQYENGKIIGGKSPDSGHEVELVKEESYFFNISKYTDRLLEFYDQNPDFIQPPSRKNEMINNFIKPGLADLAVSRTSFNWGVHVPSNPKHVVYVWIDALVNYISALGYLSDDESLFNKYWPADIHLMAKEIVRFHSIIWPILLMALDLPLPKKVFAHGWILMKDGKMSKSKGNVVDPNILIDRYGLDATRYYLMRELPFGSDGVFTPEAFVERTNFDLANDLGNLVNRTISMVNKYFDGELPAYQGPLHELDEEMEAMALETVKSYTESMESLQFSVALSTVWKFISRTNKYIDETTPWVLAKDDSQKDMLGNVMAHLVENIRYAAVLLRPFLTHAPKEIFEQLNINNPQFMEFSSLEQYGVLNESIMVTGQPKPIFP,posex_set/posex_self_docking_set/8XM4_XC9/8XM4_XC9_protein.pdb,posex_set/posex_self_docking_set/8XM4_XC9/8XM4_XC9_ligand_start_conf.sdf
7QU0_F2L,CC(=O)Nc1c(F)cccc1F,GPVKKWECEVISNDNKATFIKELKLRIPEGEVVPFRAGGYIQIECPPHKVAYADFDVPDEYRSDWDKFNLFRYVSEVKEPTLRAYSMANYPEEKGIIMLNVRIATPPPKIPDAPPGIMSSYIWSLKPGDKVTISGPFGEFFAKETDAEMVFIGGGAGMAPMRSHIFDQLKRLHSTRKISFWYGARSLREMFYDEEFEQLARDNPNFTFHVALSDPLPEDNWTGHTGFIHNVLYENYLRDHPAPEDCEFYMCGPPVMNAAVIKMLKDLGVEDENILLDDFGG,posex_set/posex_self_docking_set/7QU0_F2L/7QU0_F2L_protein.pdb,posex_set/posex_self_docking_set/7QU0_F2L/7QU0_F2L_ligand_start_conf.sdf
7OOZ_05Q,Clc1nc(OCc2ccccc2)c2[nH]cnc2n1,MTPHINAKIGDFYPQCLLCGDPLRVSYIAKKFLQDAKEITNVRNMLGFSGKYKGRGISLMGHGMGIASCTIYVTELIKTYQVKELLRIGTCGAISPKVGLKDIIMATGASTDSKTNRVRFLNHDLSATPDFELSLRAYQTAKRLGIDLKVGNVFSSDFFYSFETHAFDLMAKYNHLAIEMEAAGLYATAMELNAKALCLCSVSDHLITKEALSPKERVESFDNMIILALEMMS,posex_set/posex_self_docking_set/7OOZ_05Q/7OOZ_05Q_protein.pdb,posex_set/posex_self_docking_set/7OOZ_05Q/7OOZ_05Q_ligand_start_conf.sdf
8QMU_KDH,O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,QEKRKQISVRGLAGVENVTELKKNFNRHLHFTLVKDRNVATPRDYYFALAHTVRDHLVGRWIRTQQHYYEKDPKRIYYLSLEFYMGRTLQNTMVNLALENACDEATYQLGLDMEELEEIEEDAGLGNGGLGRLAACFLDSMATLGLAAYGYGIRYEFGIFNQKICGGWQMEEADDWLRYGNPWEKARPEFTLPVHFYGRVEHTSQGAKWVDTQVVLAMPYDTPVPGYRNNVVNTMRLWSAKAPNDFNLKDFNVGGYIQAVLDRNLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDIIRRFKSSKFGCRDPVRTNFDAFPDKVAIQLNDTHPSLAIPELMRVLVDLERLDWDKAWEVTVKTCAYTNHTVIPEALERWPVHLLETLLPRHLQIIYEINQRFLNRVAAAFPGDVDRLRRMSLVEEGAVKRINMAHLCIAGSHAVNGVARIHSEILKKTIFKDFYELEPHKFQNKTNGITPRRWLVLCNPGLAEIIAERIGEEYISDLDQLRKLLSYVDDEAFIRDVAKVKQENKLKFAAYLEREYKVHINPNSLFDVQVKRIHEYKRQLLNCLHVITLYNRIKKEPNKFVVPRTVMIGGKAAPGYHMAKMIIKLITAIGDVVNHDPVVGDRLRVIFLENYRVSLAEKVIPAADLSEQISTAGTEASGTGNMKFMLNGALTIGTMDGANVEMAEEAGEENFFIFGMRVEDVDRLDQRGYNAQEYYDRIPELRQIIEQLSSGFFSPKQPDLFKDIVNMLMHHDRFKVFADYEEYVKCQERVSALYKNPREWTRMVIRNIATSGKFSSDRTIAQYAREIWGVEPSRQRLPA,posex_set/posex_self_docking_set/8QMU_KDH/8QMU_KDH_protein.pdb,posex_set/posex_self_docking_set/8QMU_KDH/8QMU_KDH_ligand_start_conf.sdf
7UR3_OJ3,C[C@](O)(CCCc1ccccc1)c1cc(C(=O)N2Cc3ccc(F)cc3C2)ccc1O,MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKEDKEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKT,posex_set/posex_self_docking_set/7UR3_OJ3/7UR3_OJ3_protein.pdb,posex_set/posex_self_docking_set/7UR3_OJ3/7UR3_OJ3_ligand_start_conf.sdf
8EGF_WIK,Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,STSATDTHHVELARERSKTVTSFYNQSAIDVVAEKPSVRLTPTMMLYSGRSQDGSHLLKSGRYLQQELPVRIAHRIKGFRSLPFIIGCNPTILHVHELYIRAFQKLTDFPPIKDQADEAQYCQLVRQLLDDHKDVVTLLAEGLRESRKHIEDEKLVRYFLDKTLTSRLGIRMLATHHLALHEDKPDFVGIICTRLSPKKIIEKWVDFARRLCEHKYGNAPRVRINGHVAARFPFIPMPLDYILPELLKNAMRATMESHLDTPYNVPDVVITIANNDVDLIIRISDRGGGIAHKDLDRVMDYHFTTAEASTQDPRISPLFGHLDMHSGGQSGPMHGFGFGLPTSRAYAEYLGGSLQLQSLQGIGTDVYLRLRHIDGREESFRIHHHHHH,posex_set/posex_self_docking_set/8EGF_WIK/8EGF_WIK_protein.pdb,posex_set/posex_self_docking_set/8EGF_WIK/8EGF_WIK_ligand_start_conf.sdf
7VJT_7IJ,O=c1oc2cc(O)ccc2c2oc3ccc(O)c(CN4CCCCC4)c3c12,SNIGSGGSQIDGFVRTLRARPEAGGKVPVFVFHPAGGSTVVYEPLLGRLPADTPMYGFERVEGSIEERAQQYVPKLIEMQGDGPYVLVGWSLGGVLAYACAIGLRRLGKDVRFVGLIDAVRAGEEIPQTKEEIRKRWDRYAAFAEKTFNVTIPAIPYEQLEELDDEGQVRFVLDAVSQSGVQIPAGIIEHQRTSYLDNRAIDTAQIQPYDGHVTLYMADRYHDDAIMFEPRYAVRQPDGGWGEYVSDLEVVPIGGEHIQAIDEPIIAKVGEHMSRALGQIEADRTSEVGKQ,posex_set/posex_self_docking_set/7VJT_7IJ/7VJT_7IJ_protein.pdb,posex_set/posex_self_docking_set/7VJT_7IJ/7VJT_7IJ_ligand_start_conf.sdf
7P7W_NDG,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O,MAHHHHHHGSDSEVNQEAKPEVKPEVKPETHINLKVSDGSSEIFFKIKKTTPLRRLMEAFAKRQGKEMDSLRFLYDGIRIQADQTPEDLDMEDNDIIEAHREQISSGLEVLFQGTMYYGFDIGGTKIEFGAFDADLVRVARERVATPTESYAAFLDAIVTLVNNADAEFGVKGTVGIGIPGIADVETGKLLTSNIPAAMGHTLQRDLEERLQRPVKIENDANCFALSEAWDEDLRGEPSVLGLILGTGVGGGLIFNGKVHSGRANIAGEIGHTRLPYDALKLLGMENAPIFPCGCKNSGCIDNYLSGRGFEQLYDHYFSEKLSAPEIIAHYEQGERRAVQHVERFMELLAICLANIFTCLDPHVVVLGGGLSNFELIYQELPKRLPAHLLHVAKLPKIIKARHGDAGGVRGAAFLNL,posex_set/posex_self_docking_set/7P7W_NDG/7P7W_NDG_protein.pdb,posex_set/posex_self_docking_set/7P7W_NDG/7P7W_NDG_ligand_start_conf.sdf
8CCL_U8O,Nc1nsc2ncccc12,MAHHHHHHMSTSQTVHDVIIIGSGPAGYTAAIYAARAQLKPLVFEGTQFGGALMTTTEVENYPGFREGITGPELMDQMREQALRFGADLRMEDVDAVQLEGPVKTVVVGDETHQARAVILAMGAAARHLGVPGEEALTGMGVSTCATCDGFFFRDQDIVVVGGGDSAMEEATFLTRFARSVTLIHRRDEFRASKIMLERARANEKITFLTNTEITQIEGDPKVTGVRLRDTVTGEESKLDVTGVFVAIGHDPRSELVRGQVELDDEGYVKVQGRTTYTSLDGVFAAGDLVDHTYRQAITAAGSGCAASIDAERWLAEQD,posex_set/posex_self_docking_set/8CCL_U8O/8CCL_U8O_protein.pdb,posex_set/posex_self_docking_set/8CCL_U8O/8CCL_U8O_ligand_start_conf.sdf
8KH3_VWF,N#Cc1ccc2[nH]nnc2c1,MAEAAQSIDQLIKARGKVYFGVATDQNRLTTGKNAAIIKADFGMVWPENSMQWDATEPSQGNFNFAGADYLVNWAQQNGKLIGAGCLVWHNFLPSWVSSITDKNTLINVMKNHITTLMTRYKGKIRTWDVVGEAFNEDGSLRQNVFLNVIGEDYIPIAFQTARAADPNAKLYIMDYNLDSASYPKTQAIVNRVKQWRAAGVPIDGIGSQMHLSAGQGAGVLQALPLLASAGTPEVSILMLDVAGASPTDYVNVVNACLNVQSCVGITVMGVADPDSAFASSTPLLFDGNFNPKPAYNAIVQDLQQGSIEGRGHHHHHH,posex_set/posex_self_docking_set/8KH3_VWF/8KH3_VWF_protein.pdb,posex_set/posex_self_docking_set/8KH3_VWF/8KH3_VWF_ligand_start_conf.sdf
8QYR_XB2,CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O,MVDAEMAAFGEAAPYLRKSEKERLEAQTRPFDLKKDVFVPDDKEEFVKATILSREGGKVTAETEHGKTVTVKEDQVLQQNPPKFDKIEDMAMLTFLHEPAVLYNLKERYASWMIYTYSGLFCVTINPYKWLPVYNAEVVAAYRGKKRSEAPPHIFSISDNAYQYMLTDRENQSILITGESGAGKTVNTKRVIQYFAVIAAIGDRSKKEQATGKGTLEDQIIQANPALEAFGNAKTVRNDNSSRFGKFIRIHFGATGKLASADIETYLLEKSRVIFQLKAERDYHIFYQILSNKKPELLDMLLITNNPYDYAFISQGETTVASIDDAEELMATDNAFDVLGFTTEEKNSMYKLTGAIMHFGNMKFKLKQREEQAEPDGTEEADKSAYLMGLNSADLLKGLCHPRVKVGNEYVTKGQNVQQVVYAKGALAKAVYERMFNWMVTRINATLETKQPRQYFIGVLDIAGFEIFDFNSFEQLCINFTNEKLQQFFNHHMFVLEQEEYKKEGIEWEFIDFGMDLQACIDLIEKPMGIMSILEEECMFPKATDMTFKAKLFDNHLGKSSNFQKPRNIKGKPEAHFSLIHYAGTVDYNIIGWLQKNKDPLNETVVDLYKKSSLKMLSSLFANYAGFDTPIEKGKGKAKKGSSFQTVSALHRENLNKLMTNLRSTHPHFVRCIIPNETKSPGVIDNPLVMHQLRCNGVLEGIRICRKGFPNRILYGDFRQRYRILNPAAIPEGQDIDSRKGAEKLLGSLDIDHNQYKFGHTKVFFKAGLLGLLEEMRDERL,posex_set/posex_self_docking_set/8QYR_XB2/8QYR_XB2_protein.pdb,posex_set/posex_self_docking_set/8QYR_XB2/8QYR_XB2_ligand_start_conf.sdf
7N54_08V,COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,MARPKSEDKKQALLEAATQAIAQSGIAASTAVIARNAGVAEGTLFRYFATKDELINTLYLHLTQDWCQSIIMELDRSITDAKMMTRFLWNSWISWGLNHPARHRAIRQLAVSEKLTKETEQRADDMFPELRDHLHRNVLMVFMSDEYRAFGDGLFLALAETTMDFAARDPARAGEYIALGFEAMWRALAREEQ,posex_set/posex_self_docking_set/7N54_08V/7N54_08V_protein.pdb,posex_set/posex_self_docking_set/7N54_08V/7N54_08V_ligand_start_conf.sdf
7ELT_TYM,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)[C@@H](O)[C@H]1O,MSTPTGSRRIFSGVQPTSDSLHLGNALGAVAQWVGLQDDHDAFFCVVDLHAITIPQDPEALRRRTLITAAQYLALGIDPGRATIFVQSQVPAHTQLAWVLGCFTGFGQASRMTQFKDKSARQGSEATTVGLFTYPVLQAADVLAYDTELVPVGEDQRQHLELARDVAQRFNSRFPGTLVVPDVLIPKMTAKIYDLQDPTSKMSKSAGTDAGLINLLDDPALSAKKIRSAVTDSERDIRYDPDVKPGVSNLLNIQSAVTGTDIDVLVDGYAGHGYGDLKKDTAEAVVEFVNPIQARVDELTADPAELEAVLAAGAQRAHDVASKTVQRVYDRLGFLLLEHHHHHH,posex_set/posex_self_docking_set/7ELT_TYM/7ELT_TYM_protein.pdb,posex_set/posex_self_docking_set/7ELT_TYM/7ELT_TYM_ligand_start_conf.sdf
8FO4_Y4Q,CC1=NC(NN/C=C/Cc2ccccc2[N+](=O)[O-])=NC(=O)C1,QSALTQPPSASGSPGQSVTISCTGTSSDVGGSDSVSWYQQHPGKAPKLIIYEVSQRPSGVPNRFSGSKSGNTASLTVSGLQAEDDADYYCSSYGGDNNLFFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS,posex_set/posex_self_docking_set/8FO4_Y4Q/8FO4_Y4Q_protein.pdb,posex_set/posex_self_docking_set/8FO4_Y4Q/8FO4_Y4Q_ligand_start_conf.sdf
9ETQ_A1H63,CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O,GSKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYSILSEVQQAVSQGSSDSQILDLSNRFYTLIPHDFGMKKPPLLNNADSVQAKAEMLDNLLDIEVAYSLLRGGSDDSSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHATTHNAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFKT,posex_set/posex_self_docking_set/9ETQ_A1H63/9ETQ_A1H63_protein.pdb,posex_set/posex_self_docking_set/9ETQ_A1H63/9ETQ_A1H63_ligand_start_conf.sdf
7H4B_K2S,Cc1n[nH]c(C)c1S(=O)(=O)N(C)C,QEQTGGSGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ,posex_set/posex_self_docking_set/7H4B_K2S/7H4B_K2S_protein.pdb,posex_set/posex_self_docking_set/7H4B_K2S/7H4B_K2S_ligand_start_conf.sdf
8QEV_CP,NC(=O)OP(=O)(O)O,SNASSVTSPSSPSDVKGKSDLKDFLAIDDFDTATIKTILDKASEVKALLKSGERNYLPFKGKSMSMIFAKPSMRTRVSFETGFFLLGGHALYLGPNDIQMGKREETRDVARVLSRYNDIIMARVFAHQDILDLANYSSVPVVNGLTDHNHPCQIMADALTMIEHIGQVEGTKVVYVGDGNNMVHSWLELASVIPFHFVCACPKGYEPDKERVSKAKQAGLSKIEITNDPKEAVIGADVVYSDVWASMGQKDEAEARRKAFQGFQVDEALMKLAGQKAYFMHCLPAERGVEVTNGVVEAPYSIVFPQAENRMHAQNAIMLHLLGF,posex_set/posex_self_docking_set/8QEV_CP/8QEV_CP_protein.pdb,posex_set/posex_self_docking_set/8QEV_CP/8QEV_CP_ligand_start_conf.sdf
8D5D_5DK,Cc1ncc(COP(=O)(O)O)c(/C=N/[C@H](CCCNC(=N)N)C(=O)O)c1O,MTDSIMQNYNQLREQVINGDRRFQHKDGHLCFEGVDLDALARQYPTPFYVFSEPEIIRNIHEIQQAFAAHKNTKTFFASKTCSVMGVLKAIRDAGICAEANSQYEVRKCLEIGFRGDQIVFNGVVKKPADLEYAIANDLYLINVDSLYELEHIDAISRKLKKVANVCVRVEPNVPSATHAELVTAFHAKSGLDLEQAEETCRRILAMPYVHLRGLHMHVGDQVPESEPFAKATKVLVDESRRLEEVLGIKFDLINVGGGIPVPYKYDDENGDPLKDNMYAGITAQDFADAVIREVHKWRTDVEICIEPGRKVTGSAAVLLTEVSCEKRKTNYDLNGNVECHVEWKFVDAGYSVLSDSQHFDWFFYVYNASRMTAAHDAWIKLAGPLCDGGDYFHMGVKGEEFLLPKETHVGDIVAFLDAGAYTIESQTVFNNRPRTGVVMIDKNGDTRLIRREDSYEDMVKYDIYLAAALEHHHHHH,posex_set/posex_self_docking_set/8D5D_5DK/8D5D_5DK_protein.pdb,posex_set/posex_self_docking_set/8D5D_5DK/8D5D_5DK_ligand_start_conf.sdf
7Q6U_963,COc1cc(C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O)cc(OC)c1O,SMQEEDTFRELRIFLRNVTHRLAIDKRFRVFTKPVDPDEVPDYVTVIKQPMDLSSVISKIDLHKYLTVKDYLRDIDLICSNALEYNPDRDPGDRLIRHRACALRDTAYAIIKEELDEDFEQLCEEIQESR,posex_set/posex_self_docking_set/7Q6U_963/7Q6U_963_protein.pdb,posex_set/posex_self_docking_set/7Q6U_963/7Q6U_963_ligand_start_conf.sdf
9FTC_A1IF6,CC(=O)N[C@H]([C@@H]1O[C@](O[P@](=O)(O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@@H]1NC(C)=O)[C@H](C)O,MGSSHHHHHHSSGLVPRGSHMNIAIIPARGGSKRIPRKNIKPFHSKPMIAWSILAAKKAGCFERIIVSTDDAEIAAVALEYGAEVPFTRPAEIANDYATTGEVISHAINWLINQQGQVPENVCCLYATAPFVEPDDLCQGLELLTFNKECQFVFSATRFSFPIQRAIKLDESGWVSMFHPEYQLTRSQDLEEAYHDAGQFYWGKANAWLNKLPIFAVHTQVVLLPSHRVQDIDTQDDWLRAEKLFTLR,posex_set/posex_self_docking_set/9FTC_A1IF6/9FTC_A1IF6_protein.pdb,posex_set/posex_self_docking_set/9FTC_A1IF6/9FTC_A1IF6_ligand_start_conf.sdf
8WBV_DNO,O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,GSMDITRFKEDLKAHLEEKIIPFWQSLKDDEFGGYYGYMDFNLNIDRKAQKGCILNSRILWFFSACYNVLKSEKCKEMAFHAFEFLKNKFWDKEYEGLFWSVSHKGVPVDVTKHVYVQAFGIYGLSEYYEASGDEEALHMAKRLFEILETKCKRENGYTEQFERNWQEKENRFLSENGVIASKTMNTHLHVLESYTNLYRLLKLDDVYEALEWIVRLFVDKIYKKGTGHFKVFCDDNWNELIKAVSYGFDIEASWLLDQAAKYLKDEKLKEEVEKLALEVAQITLKEAFDGQSLINEMIEDRIDRSKIWWVEAETVVGFFNAYQKTKEEKYLDAAIKTWEFIKEHLVDRRKNSEWLWKVNEDLEAVNMPIVEQWKCPYHNGRMCLEIIKRV,posex_set/posex_self_docking_set/8WBV_DNO/8WBV_DNO_protein.pdb,posex_set/posex_self_docking_set/8WBV_DNO/8WBV_DNO_ligand_start_conf.sdf
7PSO_EF2,O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1,MPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD,posex_set/posex_self_docking_set/7PSO_EF2/7PSO_EF2_protein.pdb,posex_set/posex_self_docking_set/7PSO_EF2/7PSO_EF2_ligand_start_conf.sdf
8RE0_A1H0D,O=C(O)c1cc(C(=O)O)c(-c2[nH]c(C(=O)O)cc2C(=O)O)c(C(=O)O)n1,DVPLTPSQFAKAKSENFDKKVILSNLNKPHALLWGPDNQIWLTERATGKILRVNPESGSVKTVFQVPEIVNDADGQNGLLGFAFHPDFKNNPYIYISGTFKNPKSTDKELPNQTIIRRYTYNKSTDTLEKPVDLLAGLPSSKDHQSGRLVIGPDQKIYYTIGDQGRNQLAYLFLPNQAQHTPTQQELNGKDYHTYMGKVLRLNLDGSIPKDNPSFNGVVSHIYTLGHRNPQGLAFTPNGKLLQSEQGPNSDDEINLIVKGGNYGWPNVAGYKDDSGYAYANYSAAANKSIKDLAQNGVKVAAGVPVTKESEWTGKNFVPPLKTLYTVQDTYNYNDPTCGEMTFICWPTVAPSSAYVYKGGKKAITGWENTLLVPSLKRGVIFRIKLDPTYSTTYDDAVPMFKSNNRYRDVIASPDGNVLYVLTDTAGNVQKDDGSVTNTLENPGSLIKFTYKAK,posex_set/posex_self_docking_set/8RE0_A1H0D/8RE0_A1H0D_protein.pdb,posex_set/posex_self_docking_set/8RE0_A1H0D/8RE0_A1H0D_ligand_start_conf.sdf
7OSO_0V1,OCC[C@H](O)CO,FNYKPTPWTRADALKVHSDDPTTTQPLVDVAFPVMSEEVFIWDTMPLRDFDGDIVSVNGWCVIFTLTADRNTNNPDFQDENGNYDIKRDWEDRHGRARICYWYSRTGKDWIFGGRVMAEGVSPTTREWAGTPILLNDEGDIDLYYTCVTPGATIAKVRGKIVTSDEGVSLEGFQHVKSLFSADGKIYQTEEQNAYWNFRDPSPFIDKNDGKLYMLFEGNVAGSRGTHEITQEDMGSVPPGYENVGGARYQVGCIGLAVAKDLSGDEWEILPPLITAVGVNDQTERPHFVFQEGKYYLFTISHKYTFADNLTGPDGVYGFVSNQLTGPYTPMNSSGLVLGNPSSQPFQTYSHYVMPNGLVTSFIDSVPWEGEKFRIGGTEAPTVKILLKGDRSFVVDSFDYGYIPAMKDIILK,posex_set/posex_self_docking_set/7OSO_0V1/7OSO_0V1_protein.pdb,posex_set/posex_self_docking_set/7OSO_0V1/7OSO_0V1_ligand_start_conf.sdf
8DKO_TFB,O=C(O)[C@@H]1CCCO1,SRPQSTLRRAITAAYRRPETECLPPLVEAATQSKEIRDAAASTARKLIEALRGKHSGSGSSGSMMGEQFVTGETIREALKRSKELEEKGFSYSYDMLGEAATTAADAERYYRDYESAIHAIGKASAGRGIYEGPGISIKLSALHPRYSRAQAARVMGELLPRVKALALLAKNYDIGLNIDAEEADRLELSLDLLEVLCLDGDLSGWNGMGFVVQAYGKRCPFVLDFIIDLARRSGRRIMVRLVKGAYWDAEIKRAQLDGLADFPVFTRKIHTDVSYIACAAKLLAATDVVFPQFATHNAQTLAAIYHMAGKDFHVGKYEFQCLHGMGEPLYEEVVGRGKLDRPCRIYAPVGTHETLLAYLVRRLLENGANSSFVHRINDPKVSIDELIADPVEVVRAMPVVGAKHDRIALPA,posex_set/posex_self_docking_set/8DKO_TFB/8DKO_TFB_protein.pdb,posex_set/posex_self_docking_set/8DKO_TFB/8DKO_TFB_ligand_start_conf.sdf
8UG1_WNH,OC[C@H]1CCN1c1nc(-c2cnn(C3CCNCC3)c2)cc(C(F)(F)F)n1,MSLGSSHHHHHHSSGLVPRGSQILCVGLVVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTVLSLLGAPCAFMGSMAPGHVADFLVADFRRRGVDVSQVAWQSKGDTPSSCCIINNSNGNRTIVLHDTSLPDVSATDFEKVDLTQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELFQLFGYGDVVFVSKDVAKHLGFQSAEEALRGLYGRVRKGAVLVCAWAEEGADALGPDGKLLHSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGIV,posex_set/posex_self_docking_set/8UG1_WNH/8UG1_WNH_protein.pdb,posex_set/posex_self_docking_set/8UG1_WNH/8UG1_WNH_ligand_start_conf.sdf
8WCH_PCA,O=C1CC[C@@H](C(=O)O)N1,MGSSHHHHHHSSGLVPRGSHMAENVKIGVLYPLTGPVAQVGKDAVAAVQTALDIINNSHNIPGMPLAKDAGLKGLGGGKISIVVGDHGGKPDIGVGETEKMLNSDKVHAMFGAYYSSVTGAASQVSERAGIPWVNGESTSPKLTTRGFKYFFRVTPHDGEFTQLMFEFMDDFNTKNGNKLKTLGIIHEDTLWGADSGGTQNTMAKDKGYKVVEKISYKAKTTSLSSEVQRLKAKNPDVLLPSSYTADAYLFLNTAKELDYNPKLLVAQNAGYTDPKFIATMGSKAEGVITRSPFNTDLATTIPMIGTVNEIFKTHSGGRDLSDVPARAFTGFMALANAINNAGSTDPEKIRQALVDLDMSSDSLIVPYRGIKFGADGQNEKTRGILMQVQDGKYCTVYPFELAACKLQYPMPTWSQK,posex_set/posex_self_docking_set/8WCH_PCA/8WCH_PCA_protein.pdb,posex_set/posex_self_docking_set/8WCH_PCA/8WCH_PCA_ligand_start_conf.sdf
8CSC_C5P,Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1,MGLAVFLPPYPFRGLKAPYLWMFYKYLHCATDSILFITGEDYLSVTDDEAQRARWEFDPASMASLGYELPNAQSMACHEYLTLDNAFYETLLSRHHHDPIKSFSAFLTERIPDLETELHALLDSKKGIIDQIDTFISICNCPSLEHVARTLGKEVMHIEIGPLRAPMYRNTAYLDFAGVNGGTEASARYEKCQAEFDIKASLGDLHNYFLEVLPPAEAATHSAAGVVLQVEDNSNLIAYNHDFTNISLLSYVRQRYEKEDILVRAHPGSLFRLRDDVFTIDDSANSLAFINQCNEVFTINSSVGLEAILTGKKTTVLGDCSYAFINELAGASATVNAAAFYLFSYLVPFDLVFNQEYLKFRLGHPEEREIVGKHIEFYSADMPGSLSQAAHSLSSLINEAISLEHHHHHH,posex_set/posex_self_docking_set/8CSC_C5P/8CSC_C5P_protein.pdb,posex_set/posex_self_docking_set/8CSC_C5P/8CSC_C5P_ligand_start_conf.sdf
9C1W_XOO,Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CNCCc2ccc(C=O)c(O)c2)cc1,NEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAAAEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQS,posex_set/posex_self_docking_set/9C1W_XOO/9C1W_XOO_protein.pdb,posex_set/posex_self_docking_set/9C1W_XOO/9C1W_XOO_ligand_start_conf.sdf
8UCB_X1T,CCOc1cc2nc(C[C@H]3CCOC3)cn2cc1NC(=O)c1cccc(C(F)F)n1,ENKSLEVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS,posex_set/posex_self_docking_set/8UCB_X1T/8UCB_X1T_protein.pdb,posex_set/posex_self_docking_set/8UCB_X1T/8UCB_X1T_ligand_start_conf.sdf
8OU6_W26,Cc1cc(N)ccc1C(=O)N[C@H]1CCC(=O)NC1=O,ASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPA,posex_set/posex_self_docking_set/8OU6_W26/8OU6_W26_protein.pdb,posex_set/posex_self_docking_set/8OU6_W26/8OU6_W26_ligand_start_conf.sdf
7G9K_MPD,C[C@H](O)CC(C)(C)O,MLKKKQLTVLDLHPGAGKTRRVLPEIVREAIKKRLRTVILAPTRVVAAEMEEALRGLPVRYMTTAVNVTHSGTEIVDLMCHATFTSRLLQPIRVPNYNLNIMDEAHFTDPSSIAARGYISTRVEMGEAAAIFMTATPPGTRDAFPDSNSPIMDTEVEVPERAWSSGFDWVTDHSGKTVWFVPSVRNGNEIAACLTKAGKRVIQLSRKTFETEFQKTKNQEWDFVITTDISEMGANFKADRVIDSRRCLKPVILDGERVILAGPMPVTHASAAQRRGRIGRNPNKPGDEYMYGGGCAETDEGHAHWLEARMLLDNIYLQDGLIASLYRPEADKVAAIEGEFKLRTEQRKTFVELMKRGDLPVWLAYQVASAGITYTDRRWCFDGTTNNTIMEDSVPAEVWTKYGEKRVLKPRWMDARVCSDHAALKSFKEFAAGKR,posex_set/posex_self_docking_set/7G9K_MPD/7G9K_MPD_protein.pdb,posex_set/posex_self_docking_set/7G9K_MPD/7G9K_MPD_ligand_start_conf.sdf
9BKN_A1AQK,CCn1c(CO)nn(-c2cc3c(C(C)C)cn(-c4ccccc4C)c(=O)c3cc2F)c1=O,GATGDERFYAEHLMPTLQGLLDPESAHRLAVRFTSLGLLPRARFQDSDMLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSVTPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVNLGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSLQGKAELRRLLTKVLQERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGFGGVTDAIGADHRR,posex_set/posex_self_docking_set/9BKN_A1AQK/9BKN_A1AQK_protein.pdb,posex_set/posex_self_docking_set/9BKN_A1AQK/9BKN_A1AQK_ligand_start_conf.sdf
7R5L_I4S,Cc1nc(=O)c(C)n[nH]1,MGSSYHHHHHHSSGENLYFQHMKHGRVFIIKSYSEDDIHRSIKYNIWCSTEHGNKRLDAAYRSMNGKGPVYLLFSVNGSGHFCGVAEMKSAVDYNTCAGVWSQDKWKGRFDVRWIFVKDVPNSQLRHIRLENNENKPVTNSRDTQEVPLEKAKQVLKIIASYKHTTS,posex_set/posex_self_docking_set/7R5L_I4S/7R5L_I4S_protein.pdb,posex_set/posex_self_docking_set/7R5L_I4S/7R5L_I4S_ligand_start_conf.sdf
7VBU_6I4,Cc1ccc2c(n1)[nH]c1c(C3CC3)cccc12,GSAPKYIEHFSKFSPSPLSMKQFLDFGSSNACEKTSFTFLRQELPVRLANIMKEINLLPDRVLSTPSVQLVQSWYVQSLLDIMEFLDKDPEDHRTLSQFTDALVTIRNRHNDVVPTMAQGVLEYKDTYGDDPVSNQNIQYFLDRFYLSRISIRMLINQHTLIFDGSTNPAHPKHIGSIDPNCNVSEVVKDAYDMAKLLCDKYYMASPDLEIQEINAANSKQPIHMVYVPSHLYHMLFELFKNAMRATVESHESSLILPPIKVMVALGEEDLSIKMSDRGGGVPLRKIERLFSYMYSTAPTPQPGTGGTPLAGFGYGLPISRLYAKYFQGDLQLFSMEGFGTDAVIYLKALSTDSVERLPVYNKSAWRHYQTIQEAGDWCVPSTEPKNTSTYRVS,posex_set/posex_self_docking_set/7VBU_6I4/7VBU_6I4_protein.pdb,posex_set/posex_self_docking_set/7VBU_6I4/7VBU_6I4_ligand_start_conf.sdf
8A27_KY9,O=C(Nc1nccs1)[C@@H](c1ncn2c1CCC2)N1Cc2c(cc(C#Cc3ccc(CN4CCC(CO)CC4)cc3)cc2C(F)(F)F)C1=O,GSMNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG,posex_set/posex_self_docking_set/8A27_KY9/8A27_KY9_protein.pdb,posex_set/posex_self_docking_set/8A27_KY9/8A27_KY9_ligand_start_conf.sdf
7QZL_NAP,NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,VPRGSSKRPIRIIQWGCGLMGQTLIRTLREKGAELVGAIDHNAARRDRDAGEVAGLGQSLGVRIHPPDQADAVFREARADVCILCTRSIMSELAGALRVAARHGVNAITIGEEAFYPWTTSQALTEELDQLARANDCTLTGSGFQDVFAGNLITVLAGATHRIDRIVGLTQYNADDYGSALAQKHGVGLDPETFAARIGASNSPSYVWNSNEWLCAQLGWRVRDIRQQLLPTTHTGTLRSASLGREVPAGHATGMKAVVVTETHEGPVIETHCVGKLYAPGEVDLNEWTLRGEPDTTVTIRQPATPALTCATVLNRLPQLLAAPPGFVTTDRFTPATYVSRLETEA,posex_set/posex_self_docking_set/7QZL_NAP/7QZL_NAP_protein.pdb,posex_set/posex_self_docking_set/7QZL_NAP/7QZL_NAP_ligand_start_conf.sdf
8P4H_UM6,O=c1nc(N2CC[C@@H](F)C2)c2ccc(Cl)cc2n1-c1ccccc1,MAHHHHHHSSGENLYFQGNGQLNGFHEAFIEEGTFLFTSESVGEGHPDKICDQISDAVLDAHLQQDPDAKVACETVAKTGMILLAGEITSRAAVDYQKVVREAVKHIGYDDSSKGFDYKTCNVLVALEQQSPDIAQGVHLDRNEEDIGAGDQGLMFGYATDETEECMPLTIVLAHKLNAKLAELRRNGTLPWLRPDSKTQVTVQYMQDRGAVLPIRVHTIVISVQHDEEVCLDEMRDALKEKVIKAVVPAKYLDEDTIYHLQPSGRFVIGGPQGDAGLTGRKIIVDTYGGWGAHGGGAFSGKDYTKVDRSAAYAARWVAKSLVKGGLCRRVLVQVSYAIGVSHPLSISIFHYGTSQKSERELLEIVKKNFDLRPGVIVRDLDLKKPIYQRTAAYGHFGRDSFPWEVPKKLKY,posex_set/posex_self_docking_set/8P4H_UM6/8P4H_UM6_protein.pdb,posex_set/posex_self_docking_set/8P4H_UM6/8P4H_UM6_ligand_start_conf.sdf
8JV3_BET,C[N+](C)(C)CC(=O)O,MGAVTVVSWGGAYTESQKLGYGDPTAAKLGIPVNWVDYTGGLSEIKAQKEAGAITWDIMDVYAKDTIIGCDEGIFHEFDFDKDFLPAPDGTPASQDFFTSMPSKCAVGNILYSWNFAYNDAKIGDKKPKSIKDFFNTKKFPGKRAIYKGAMSNLEIALVADGVKASGAQAGGDLLYRKMEGAGIDRALAKIKKLCTDPNGGCVFWNAGAQPPELLANGEVVMATGWNGRFFNAQMEGTPLVQVWDAQILDYEYFALVKDGPGYADGSAMKVLAEMTSTEGLAGSAKYIAYAPWRKSSIAIMEAGEPWFKDGKTNMVPHMPTAPSNLKSHILMNPDYWADNQDEINEKWEAMKAGLHHHHHH,posex_set/posex_self_docking_set/8JV3_BET/8JV3_BET_protein.pdb,posex_set/posex_self_docking_set/8JV3_BET/8JV3_BET_ligand_start_conf.sdf
7XQZ_FPF,CC(C)=CCC/C(C)=C/CC/C(C)=C(\F)CO[P@@](=O)(O)OP(=O)(O)O,HHHHHHATAVVRCRTRLARRVVAAVGPDGLLPAPCESRVLESALALALLTEERAEADATARLTAYLRTTLRTAPPDPFQCAVARAVLGGAGERGERVGDEGDMDAGTALDAGLDGFDHFTAGRKRLMFRTVLAALGATGFPAVPWEAYDTRPQQSWLHMEMKALKVLAAHGTGHPDVVRDEDWRALLPALEPGPAWECNNLAQLLALLALRHSPRHRPALGDVLKHVAGRLRPDGGMPFIDGMTVFTTAAAGLALSLLPAPPACVTPMADALALRRNPDGGYGFHSGVAQSDVADTCYVLEFLRRAAPDRHRTAVAEAEGYLLALRNPDGGFPTFARGTSSEIAMTAAAASALAHDPDRREEVDEAVRYVVRHQRPDGTFERSWSRNATNAVFRAVLALTGVAAHGEERRSRARAAERALAHLAATQNGDGGWGHAEAEPSDPISTAYAVIALARGPRARPGGPLDRALAYLVERQHPDGGYRSRPDQAGPRPLLYDVPALADVFVLLALAHAT,posex_set/posex_self_docking_set/7XQZ_FPF/7XQZ_FPF_protein.pdb,posex_set/posex_self_docking_set/7XQZ_FPF/7XQZ_FPF_ligand_start_conf.sdf
8ASZ_AG2,N=C(N)NCCCCN,AEQKTLHIYNWSDYIAPDTVANFEKETGIKVVYDVFDSNEVLEGKLMAGSTGFDLVVPSAYFLERQLTAGVFQPLDKSKLPEWKNLDPELLKLVAKHDPDNKFAMPYMWATTGIGYNVDKVKAVLGENAPVDSWDLILKPENLEKLKSCGVSFLDDPEEVFATVLNYLGKDPNSTKADDYTGPATDLLLKLRPNIRYFHSSQYINDLANGDICVAIGWAGDVWQASNRAKEAKNGVNVSFSIPKEGAMAFFDVFAMPADAKNKDEAYQFLNYLLRPDVVAHISDHVFYANANKAATPLVSAEVRENPGIYPPADVRAKLFTLKVQDPKIDRVRTRAWTKVKSGKLEHHHHHH,posex_set/posex_self_docking_set/8ASZ_AG2/8ASZ_AG2_protein.pdb,posex_set/posex_self_docking_set/8ASZ_AG2/8ASZ_AG2_ligand_start_conf.sdf
8I63_BR8,O=C1CC(=O)NC(=O)N1,MHHHHHHGMASMTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP,posex_set/posex_self_docking_set/8I63_BR8/8I63_BR8_protein.pdb,posex_set/posex_self_docking_set/8I63_BR8/8I63_BR8_ligand_start_conf.sdf
8CNH_V6U,COC(=O)c1ccccc1Cc1cn(C)nc1-c1cc(Cl)nc(N)n1,MNTPKEEFQDWPIVRIAAHLPDLIVYGHFSPERPFMDYFDGVLMFVDISGFTAMTEKFSSAMYMDRGAEQLVEILNYHISAIVEKVLIFGGDILKFAGDALLALWRVERKQLKNIITVVIKCSLEIHGLFETQEWEEGLDIRVKIGLAAGHISMLVFGDETHSHFLVIGQAVDDVRLAQNMAQMNDVILSPNCWQLCDRSMIEIESVPDQRAVKVNFLKPPPNFNFDEFFTKCTTFMHYYPSGEHKNLLRLACTLKPDPELEMSLQKYVMESILKQIDNKQLQGYLSELRPVTIVFVNLMFEDQDKAEEIGPAIQDAYMHITSVLKIFQGQINKVFMFDKGCSFLCVFGFPGEKVPDELTHALECAMDIFDFCSQVHKIQTVSIGVASGIVFCGIVGHTVRHEYTVIGQKVNLAARMMMYYPGIVTCDSVTYNGSNLPAYFFKELPKKVMKGVADSGPLYQYWGRTEKVHHHHHH,posex_set/posex_self_docking_set/8CNH_V6U/8CNH_V6U_protein.pdb,posex_set/posex_self_docking_set/8CNH_V6U/8CNH_V6U_ligand_start_conf.sdf
7ZOG_JE5,N=[N+]=NCCOCCOCCOCCNC(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc3c(=O)cc(C(=O)NCC4CCCCC4)oc23)cc1,MAHHHHHHMGTLEAQTQGPGSHYTDNRYKMMECIKDAGRPFYPHKFKISMSLPAYALKYGNVENGYIDKDTTLSLSGRVTSIRSSSSKLIFYDIFCEEQKVQIIANIMEHDISTGEFSVSHSEIRRGDVVGFTGFPGKSKRGELSLFSKSVVLLSPCYHMLPTAISGLKDQEVRYRQRYLDLMLNEESRKVFKLRSRAIKYIRNYFDRLGFLEVETPMLNMIYGGAAARPFITYHNELETQLYMRIATELYLKQLIVGGLDKVYEIGKVFRNEGIDLTHNPEFTSMEFYMAYADYYDLMDLTEELISGLVLEIHGSLKIPYHPDGPEGKCIEIDFTTPWKRFSFVEEIESGLGEKLKRPLDSQENIDFMVEMCEKHEIELPHPRTAAKLLDKLAGHFVETKCTNPSFIIDHPQTMSPLAKWHREKPEMTERFELFVLGKELCNAYTELNEPLQQRKFFEQQADAKASGDVEACPIDETFCLALEHGLPPTGGWGLGIDRLIMFLADKNNIKEVILFPAMRNVKQNAQHSNQHSGN,posex_set/posex_self_docking_set/7ZOG_JE5/7ZOG_JE5_protein.pdb,posex_set/posex_self_docking_set/7ZOG_JE5/7ZOG_JE5_ligand_start_conf.sdf
7NGG_U9W,CC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_self_docking_set/7NGG_U9W/7NGG_U9W_protein.pdb,posex_set/posex_self_docking_set/7NGG_U9W/7NGG_U9W_ligand_start_conf.sdf
7EUZ_JD3,C[C@H](c1c[nH]c2ccccc12)[C@H](N)C(=O)O,MTVQDKAAGSDAEIVTALPVPLAVAGHHQPAPFYLTADMFGGLPVQLAGGELSKLVGKPVAAPHVHEVDELYFLVSPEPGQARIEVHLDGVRHELVSPAVMRIPAGSEHCFLTLEATVGSYCFGILVGDRL,posex_set/posex_self_docking_set/7EUZ_JD3/7EUZ_JD3_protein.pdb,posex_set/posex_self_docking_set/7EUZ_JD3/7EUZ_JD3_ligand_start_conf.sdf
8CFE_T9G,CC[C@@H](N)c1ccccc1O,SNAMSAVMTPAGFTDYKVADITLAAWGRRELIIAESEMPALMGLRRKYAGQQPLKGAKILGCIHMTIQTGVLIETLVALGAEVRWSSCNIFSTQDQAAAAIAAAGIPVFAWKGETEEEYEWCIEQTILKDGQPWDANMVLDDGGDLTEILHKKYPQMLERIHGITEETTTGVHRLLDMLKNGTLKVPAINVNDSVTKSKNDNKYGCRHSLNDAIKRGTDHLLSGKQALVIGYGDVGKGSSQSLRQEGMIVKVAEVDPICAMQACMDGFEVVSPYKNGINDGTEASIDAALLGKIDLIVTTTGNVNVCDANMLKALKKRAVVCNIGHFDNEIDTAFMRKNWAWEEVKPQVHKIHRTGKDGFDAHNDDYLILLAEGRLVNLGNATGHPSRIMDGSFANQVLAQIHLFEQKYADLPAAEKAKRLSVEVLPKKLDEEVALEMVKGFGGVVTQLTPKQAEYIGVSVEGPFKPDTYRY,posex_set/posex_self_docking_set/8CFE_T9G/8CFE_T9G_protein.pdb,posex_set/posex_self_docking_set/8CFE_T9G/8CFE_T9G_ligand_start_conf.sdf
7GBY_L5I,Cc1ccncc1NC(=O)[C@H](C)CC1CC1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_self_docking_set/7GBY_L5I/7GBY_L5I_protein.pdb,posex_set/posex_self_docking_set/7GBY_L5I/7GBY_L5I_ligand_start_conf.sdf
8PTS_EIF,C[C@@]1(F)[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21,MSGPRPVVLSGPSGAGKSTLLKRLLQEHSGIFGFSVSHTTRNPRPGEENGKDYYFVTREVMQRDIAAGDFIEHAEFSGNLYGTSKVAVQAVQAMNRICVLDVDLQGVRNIKATDLRPIYISVQPPSLHVLEQRLRQRNTETEESLVKRLAAAQADMESSKEPGLFDVVIINDSLDQAYAELKEALSEEIKKAQRTGA,posex_set/posex_self_docking_set/8PTS_EIF/8PTS_EIF_protein.pdb,posex_set/posex_self_docking_set/8PTS_EIF/8PTS_EIF_ligand_start_conf.sdf
7E08_HYP,O=C(O)[C@@H]1C[C@@H](O)CN1,MEPHDTLSPAQVDEYRKNGFLVQEHVFDEEEIELLRAEAAQEFASGGERVTVEQNTGIVRGVHGCHLYSEVFGRLVRSPRLLPIARQLLRDDVYVHQFKINAKRAFKGEVWEWHQDYTFWHHEDGMPAPRALSAAIFLDEVTEFNGPLTFVPGGHGSGMIDADVKGEGWANTLTASLKYSLDVETMRGLIERNGMVAPKGPRGSVLWFDANIPHSSVPNISPFDRGLVLITYNSVENKTDVTRGTRPEWLAARDFTPLTALQATSF,posex_set/posex_self_docking_set/7E08_HYP/7E08_HYP_protein.pdb,posex_set/posex_self_docking_set/7E08_HYP/7E08_HYP_ligand_start_conf.sdf
8DKY_U90,CO[C@@H]1[C@H](O)[C@@H](O)O[C@H](CO)[C@H]1O,GSNFKAVIKEVRLKSEHGYTNNFPSGDTLFIELDVEAKEDLQDVVAGILIRDRFGQDIFGINTYLMEKKVELKKGKYLFTFKMPLNLAPGKYTLTVALHKGMDHAQECYHWIDNVCNFEVNGFKKEQFVGVCYLPTEFNYRKIP,posex_set/posex_self_docking_set/8DKY_U90/8DKY_U90_protein.pdb,posex_set/posex_self_docking_set/8DKY_U90/8DKY_U90_ligand_start_conf.sdf
7EHR_1PE,OCCOCCOCCOCCOCCO,MSELYQAKSETRSTITSSLKGIQPYKPTKATIWSRADALKVNEYDPTTTQPLVSGDFPVMSDEVFIWDTMPLRDIDGNIASVNGWSVIFTLTADRNPTAPEYQDEQGNYDITLDWNDRHGRAKMYFWYSRTGKDWIIGGRVMAEGVSPTAREWAGTPVLLNERGEIDLYYTAVTPGATVVKVRGRVVTTENGVEMVGFKKVKSLFEADGKMYQTESQNPYWAFRDPCPFRDPKSGKLYMLFEGNVAGERGSHVVGPDELGDVPPGYEDAGNSHFQTGCIGIAVCRDEDGDDWELLPPLITAVGVNDQTERPHFVFQDGKYYLFTISHKFTYGDGLTGPDGVYGFVSENLFGPYVPLNGSGLVLGNPPSQPYQTYSHYVMPNGLVTSFIDSVPTGEDSYRIGGTEAPTVLIKLKGAQTFVLEEFDYGYIPPMIDVKVEHHHHHH,posex_set/posex_self_docking_set/7EHR_1PE/7EHR_1PE_protein.pdb,posex_set/posex_self_docking_set/7EHR_1PE/7EHR_1PE_ligand_start_conf.sdf
7SZA_DUI,Nc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O,GPMAAARATTPADGEEPAPEAEALAAARERSSRFLSGLELVKQGAEARVFRGRFQGRAAVIKHRFPKGYRHPALEARLGRRRTVQEARALLRCRRAGISAPVVFFVDYASNCLYMEEIEGSVTVRDYIQSTMETEKTPQGLSNLAKTIGQVLARMHDEDLIHGDLTTSNMLLKPPLEQLNIVLIDFGLSFISALPEDKGVDLYVLEKAFLSTHPNTETVFEAFLKSYSTSSKKARPVLKKLDEVRLRGRKRSMVG|GPHMQLTHQLDLFPECRVTLLLFKDVKNAGDLRRKAMEGTIDGSLINPTVIVDPFQILVAANKAVHLYKLGKMKTRTLSTEIIFNLSPNNNISEALKKFGISANDTSILIVYIEEGEKQINQEYLISQVEGHQVSLKNLPEIMNITEVKKIYKLSSQEESIGTLLDAIICRMSTKDVL,posex_set/posex_self_docking_set/7SZA_DUI/7SZA_DUI_protein.pdb,posex_set/posex_self_docking_set/7SZA_DUI/7SZA_DUI_ligand_start_conf.sdf
8XAM_XRH,CN(C)c1nc(=O)n(-c2cccc(NC(=O)COc3cccc(-n4c(=O)nc(N(C)C)c5ccc(Cl)cc54)c3)c2)c2cc(Cl)ccc12,GTFLFTSESVGEGHPDKICDQISDAVLDAHLQQDPDAKVACETVAKTGMILLAGEITSRAAVDYQKVVREAVKHIGYDDSSKGFDYKTCNVLVALEQQSPDIAQGVHLDRNEEDIGAGDQGLMFGYATDETEECMPLTIVLAHKLNAKLAELRRNGTLPWLRPDSKTQVTVQYMQDRGAVLPIRVHTIVISVQHDEEVCLDEMRDALKEKVIKAVVPAKYLDEDTIYHLQPSGRFVIGGPQGDAGLTGRKIIVDTYGGWGAHGGGAFSGKDYTKVDRSAAYAARWVAKSLVKGGLCRRVLVQVSYAIGVSHPLSISIFHYGTSQKSERELLEIVKKNFDLRPGVIVRDLDLKKPIYQRTAAYGHFGRDSFPWEVPKKLKY,posex_set/posex_self_docking_set/8XAM_XRH/8XAM_XRH_protein.pdb,posex_set/posex_self_docking_set/8XAM_XRH/8XAM_XRH_ligand_start_conf.sdf
7EER_ZCW,OCCc1c[nH]c2ccccc12,MKTIFSGIQPSGVITIGNYIGALRQFVELQHEYNCYFCIVDQHAITVWQDPHELRQNIRRLAALYLAVGIDPTQATLFIQSEVPAHAQAAWMLQCIVYIGELERMTQFKEKSAGKEAVSAGLLTYPPLMAADILLYNTDIVPVGEDQKQHIELTRDLAERFNKRYGELFTIPEARIPKVGARIMSLVDPTKKMSKSDPNPKAYITLLDDAKTIEKKIKSAVTDSEGTIRYDKEAKPGISNLLNIYSTLSGQSIEELERQYEGKGYGVFKADLAQVVIETLRPIQERYHHWMESEELDRVLDEGAEKANRVASEMVRKMEQAMGLGRRRLE,posex_set/posex_self_docking_set/7EER_ZCW/7EER_ZCW_protein.pdb,posex_set/posex_self_docking_set/7EER_ZCW/7EER_ZCW_ligand_start_conf.sdf
7B2U_SQ5,O=C1N[C@@H](CC2CCCCC2)C(=O)N1c1cncc(F)c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_self_docking_set/7B2U_SQ5/7B2U_SQ5_protein.pdb,posex_set/posex_self_docking_set/7B2U_SQ5/7B2U_SQ5_ligand_start_conf.sdf
8ORO_VFH,Cc1cc(=O)c2ccccc2[nH]1,MRGSHHHHHHGSMTDTYLHETLVFDNKLSYIDNQRDTDGPAILLLPGWCHDHRVYKYLIQELDADFRVIVPNWRGHGLSPSEVPDFGYQEQVKDALEILDQLGVETFLPVSHAHGGWVLVELLEQAGPERAPRGIIMDWLMWAPKPDFAKSLTLLKDPERWREGTHGLFDVWLDGHDEKRVRHHLLEEMADYGYDCWGRSGRVIEDAYGRNGSPMQMMANLTKTRPIRHIFSQPTEPEYEKINSDFAEQHPWFSYAKLGGPTHFPAIDVPDRAAVHIREFATAIRQGQ,posex_set/posex_self_docking_set/8ORO_VFH/8ORO_VFH_protein.pdb,posex_set/posex_self_docking_set/8ORO_VFH/8ORO_VFH_ligand_start_conf.sdf
8E0T_52L,O=C(O)/C(C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)=N/O,GMNYQNDDLRIKEIKELLPPVALLEKFPATENAANTVAHARKAIHKILKGNDDRLLVVIGPCSIHDPVAAKEYATRLLALREELKDELEIVMRVYFEKPRTTVGWKGLINDPHMDNSFQINDGLRIARKLLLDINDSGLPAAGEFLDMITPQYLADLMSWGAIGARTTESQVHRELASGLSCPVGFKNGTDGTIKVAIDAINAAGAPHCFLSVTKWGHSAIVNTSGNGDCHIILRGGKEPNYSAKHVAEVKEGLNKAGLPAQVMIDFSHANSSKQFKKQMDVCADVCQQIAGGEKAIIGVMVESHLVEGNQSLESGEPLAYGKSITDACIGWEDTDALLRQLANAVKARRG,posex_set/posex_self_docking_set/8E0T_52L/8E0T_52L_protein.pdb,posex_set/posex_self_docking_set/8E0T_52L/8E0T_52L_ligand_start_conf.sdf
7N8E_0UD,CCNC(=N)NC(=O)Nc1c(C(C)C)cccc1C(C)C,MTVGTLVASVLPATVFEDLAYAELYSDPPGLTPLPEEAPLIARSVAKRRNEFITVRHCARIALDQLGVPPAPILKGDKGEPCWPDGMVGSLTHCAGYRGAVVGRRDAVRSVGIDAEPHDVLPNGVLDAISLPAERADMPRTMPAALHWDRILFCAKEATYKAWFPLTKRWLGFEDAHITFETDSTGWTGRFVSRILIDGSTLSGPPLTTLRGRWSVERGLVLTAIVLAGENLYFQSAGHHHHHH,posex_set/posex_self_docking_set/7N8E_0UD/7N8E_0UD_protein.pdb,posex_set/posex_self_docking_set/7N8E_0UD/7N8E_0UD_ligand_start_conf.sdf
7DYQ_HR0,Cc1nn2c(nc(O)c3cccnc32)c1C#N,AQNPNCNIMIFHPTKEEFNDFDKYIAYMESQGAHRAGLAKIIPPKEWKARETYDNISEILIATPLQQVASGRAGVFTQYHKKKKAMTVGEYRHLANSKKYQTPPHQNFEDLERKYWKNRIYNSPIYGADISGSLFDENTKQWNLGHLGTIQDLLEKECGVVIEGVNTPYLYFGMWKTTFAWHTEDMDLYSINYLHLGEPKTWYVVPPEHGQRLERLARELFPGSSRGCGAFLRHKVALISPTVLKENGIPFNRITQEAGEFMVTFPYGYHAGFNHGFNCAEAINFATPRWIDYGKMASQCSCGEARVTFSMDAFVRILQPERYDLWKRGQ,posex_set/posex_self_docking_set/7DYQ_HR0/7DYQ_HR0_protein.pdb,posex_set/posex_self_docking_set/7DYQ_HR0/7DYQ_HR0_ligand_start_conf.sdf
5SM7_LPU,CS(=O)(=O)N1CCC(O)CC1,SMLFKDCSKVITGLHPTQAPTHLSVDTKFKTEGLCVDIPGIPKDMTYRRLISMMGFKMNYQVNGYPNMFITREEAIRHVRAWIGFDVEGCHATREAVGTNLPLQLGFSTGVNLVAVPTGYVDTPNNTDFSRVSAKPPPGDQFKHLIPLMYKGLPWNVVRIKIVQMLSDTLKNLSDRVVFVLWAHGFELTSMKYFVKIGPERTCCLCDRRATCFSTASDTYACWHHSIGFDYVYNPFMIDVQQWGFTGNLQSNHDLYCQVHGNAHVASCDAIMTRCLAVHECFVKRVDWTIEYPIIGDELKINAACRKVQHMVVKAALLADKFPVLHDIGNPKAIKCVPQADVEWKFYDAQPCSDKAYKIEELFYSYATHSDKFTDGVCLFWNCNVDRYPANSIVCRFDTRVLSNLNLPGCDGGSLYVNKHAFHTPAFDKSAFVNLKQLPFFYYSDSPCESHGKQVVSDIDYVPLKSATCITRCNLGGAVCRHHANEYRLYLDAYNMMISAGFSLWVYKQFDTYNLWNTFTRLQ,posex_set/posex_self_docking_set/5SM7_LPU/5SM7_LPU_protein.pdb,posex_set/posex_self_docking_set/5SM7_LPU/5SM7_LPU_ligand_start_conf.sdf
8U5O_NGC,O=C(CO)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@@H]1O,MVEGAVKTEPVDLFHPGFLNSSNYRIPALFKTKEGTLIASIDARRHGGADAPNNDIDTAVRRSEDGGKTWDEGQIIMDYPDKSSVIDTTLIEDDETGRIFLLVTHFPSKYGFWNAGLGSGFKNIDGKEYLCLYDSSGKEFTVRENVVYDKDSNKTEYTTNALGDLFRNGTKIDNINSSTAPLKAKGTSYINLVYSDDDGKTWSEPQNINFQVKKDWMKFLGIAPGRGIQIKNGEHKGRIVVPVYYTNEKGKQSSAVIYSDDSGKNWTIGESPNDNRKLENGKIINSKTLSDDAPQLTECQVVEMPNGQLKLFMRNLSGYLNIATSFDGGATWDETVEKDTNVLEPYCQLSVINYSQKVDGKDAVIFSNPNARSRSNGTVRIGLINQVGTYENGEPKYEFDWKYNKLVKPGYYAYSCLTELSNGNIGLLYEGTPSEEMSYIEMNLKYLES,posex_set/posex_self_docking_set/8U5O_NGC/8U5O_NGC_protein.pdb,posex_set/posex_self_docking_set/8U5O_NGC/8U5O_NGC_ligand_start_conf.sdf
7Z62_IEC,C=C(c1ccc(OC)cc1)c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,AWKGEVLANNEAGQVTSIIYNPGDVITIVAAGWASYGPTQKWGPQGDREHPDQGLICHDAFCGALVMKIGNSGTIPVNTGLFRWVAPNNVQGAITLIYNDVPGTYGNNSGSFSVNIGKDQS,posex_set/posex_self_docking_set/7Z62_IEC/7Z62_IEC_protein.pdb,posex_set/posex_self_docking_set/7Z62_IEC/7Z62_IEC_ligand_start_conf.sdf
8A0T_KLO,Oc1ncc(Cc2ccccc2)c(O)n1,GSHMGASRLYTLVLVLQPQRVLLGMKKRGFGAGRWNGFGGKVQEGETIEDGARRELQEESGLTVDALHKVGQIVFEFVGEPELMDVHVFCTDSIQGTPVESDEMRPCWFQLDQIPFKDMWPDDSYWFPLLLQKKKFHGYFKFQGQDTILDYTLREVDTV,posex_set/posex_self_docking_set/8A0T_KLO/8A0T_KLO_protein.pdb,posex_set/posex_self_docking_set/8A0T_KLO/8A0T_KLO_ligand_start_conf.sdf
7EJI_PEG,OCCOCCO,GMTDRLKGKVAIVTGGTLGIGLAIADKFVEEGAKVVITGRHADVGEKAAKSIGGTDVIRFVQHDASDEAGWTKLFDTTEEAFGPVTTVVNNAGIAVSKSVEDTTTEEWRKLLSVNLDGVFFGTRLGIQRMKNKGLGASIINMSSIEGLVGDPTQGAYNASKGAVRIMSKSAALDCALKDYDVRVNTVHPGPIKTPLVDDAEGAEEFFSQRTKTPMGHIGEPNDIAWICVYLASDESKFATGAEFVVDGGYTAQ,posex_set/posex_self_docking_set/7EJI_PEG/7EJI_PEG_protein.pdb,posex_set/posex_self_docking_set/7EJI_PEG/7EJI_PEG_ligand_start_conf.sdf
8FBQ_XOQ,Cc1nn(C)c(C)c1CCOc1cccnc1-c1cccc(N2CCNCC2)c1,GPDYKFWYTQPVPKINDEFNESVNEPFISDNKVEDVRKDEYKLPPGYSWYVCDVKDEKDRSEIYTLLTDNYVEDDDNIFRFNYSAEFLLWALTSPNYLKTWHIGVKYDASNKLIGFISAIPTDICIHKRTIKMAEVNFLCVHKTLRSKRLAPVLIKEITRRINLENIWQAIYTAGVYLPKPVSDARYYHRSINVKKLIEIGFSSLNSRLTMSRAIKLYRVEDTLNIKNMRLMKKKDVEGVHKLLGSYLEQFNLYAVFTKEEIAHWFLPIENVIYTYVNEENGKIKDMISFYSLPSQILGNDKYSTLNAAYSFYNVTTTATFKQLMQDAILLAKRNNFDVFNALEVMQNKSVFEDLKFGEGDGSLKYYLYNWKCASFAPAHVGIVLL,posex_set/posex_self_docking_set/8FBQ_XOQ/8FBQ_XOQ_protein.pdb,posex_set/posex_self_docking_set/8FBQ_XOQ/8FBQ_XOQ_ligand_start_conf.sdf
7F99_1UI,COc1cncc(-c2cc(F)cc(CNC(=O)c3cc(N4CC[C@@](C#N)(C5CC5)C4=O)cc(C)n3)c2)c1,PKKQTRLGLEAKKEENLADWYSQVITKSEMIEYHDISGCYILRPWAYAIWEAIKDFFDAEIKKLGVENCYFPMFVSQSALEKEKTHVADFAPEVAWVTRSGKTELAEPIAIRPTSETVMYPAYAKWVQSHRDLPIKLNQWCNVVRWEFKHPQPFLRTREFLWQEGHSAFATMEEAAEEVLQILDLYAQVYEELLAIPVVKGRKTEKEKFAGGDYTTTIEAFISASGRAIQGGTSHHLGQNFSKMFEIVFEDPKIPGEKQFAYQNSWGLTTRTIGVMTMVHGDNMGLVLPPRVACVQVVIIPCGITNALSEEDKEALIAKCNDYRRRLLSVNIRVRADLRDNYSPGWKFNHWELKGVPIRLEVGPRDMKSCQFVAVRRDTGEKLTVAENEAETKLQAILEDIQVTLFTRASEDLKTHMVVANTMEDFQKILDSGKIVQIPFCGEIDCEDWIKKTTARDQDLEPGAPSMGAKSLCIPFKPLCELQPGAKCVCGKNPAKYYTLFGRSY,posex_set/posex_self_docking_set/7F99_1UI/7F99_1UI_protein.pdb,posex_set/posex_self_docking_set/7F99_1UI/7F99_1UI_ligand_start_conf.sdf
9MIU_A1BLJ,CN(C)c1cc(-c2ccncc2)c(Cl)nn1,TVFRQENVDDYYDTGEELGSGQFAVVKKCREKSTGLQYAAKFIKKRRTKSSRRGVSREDIEREVSILKEIQHPNVITLHEVYENKTDVILILELVAGGELFDFLAEKESLTEEEATEFLKQILNGVYYLHSLQIAHFDLKPENIMLLDRNVPKPRIKIIDFGLAHKIDFGNEFKNIFGTPEFVAPEIVNYEPLGLEADMWSIGVITYILLSGASPFLGDTKQETLANVSAVNYEFEDEYFSNTSALAKDFIRRLLVKDPKKRMTIQDSLQHPWIKPKDTQQALSSAWSHPQFEKSAWSHPQFEK,posex_set/posex_self_docking_set/9MIU_A1BLJ/9MIU_A1BLJ_protein.pdb,posex_set/posex_self_docking_set/9MIU_A1BLJ/9MIU_A1BLJ_ligand_start_conf.sdf
8AVQ_UDX,O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)O[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1,LGSMKLAELTLESDDFITSDKLFNFCKSTIFGAKYVKTDFIKFRQYQYIVSNCGWRDDTDVVFLENTPVLVTGHSDYDISEREIDIIRLPNIRAWFCQNRNIPHPKVISFPLGITNKDEPNSEIHRIIGNTDRILEVSKTPKEIKNLVYMNITVKNFPEERQRIVDLYSDKSWVTIGKGEVSEEGHRKFLEDMYAHKFCFAPRGNGIDTHRLWESLYLRTIPIVKKHIAMEQFTDLPILFVNDWENITEEYLNEQYDIIMAKDWNLDKLKIDYWYQKILEYSQ,posex_set/posex_self_docking_set/8AVQ_UDX/8AVQ_UDX_protein.pdb,posex_set/posex_self_docking_set/8AVQ_UDX/8AVQ_UDX_ligand_start_conf.sdf
9CLL_A1AZG,CC(C)c1nn([C@@H]2O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)Cc3ccc(O)cc3)[C@@H](O)[C@H]2O)c2ncnc(N)c12,METTDTKREEQEIEEKKAQEESKIEDVDKILNDILSISSECIQPDELRVKLLLKRKLICYDGFEPSGRMHIAQGLLKSIIVNKLTSNGCTFIFWIADWFAHLNNKMSGDLKKIKKVGSYFIEVWKSCGMNMENVQFLWASEEINKKPNEYWSLVLDISRSFNINRMKRCLKIMGRSEGEENYCSQILYPCMQCADIFFLNVDICQLGIDQRKVNMLAREYCDIKKIKKKPVILSHGMLPGLLEGQEKMSKSDENSAIFMDDSESDVNRKIKKAYCPPNVIENNPIYAYAKSIIFPSYNEFNLVRKEKNGGDKTYYTLQELEHDYVNGFIHPLDLKDNVAMYINKLLQPVRDHFQNNIEAKNLLNEIKKYKVTK,posex_set/posex_self_docking_set/9CLL_A1AZG/9CLL_A1AZG_protein.pdb,posex_set/posex_self_docking_set/9CLL_A1AZG/9CLL_A1AZG_ligand_start_conf.sdf
7SIU_9ID,Cn1cc(Nc2ncc(C3=CCC[C@@H](NC(=O)c4ccccc4)C3)nc2C(N)=O)cn1,MDYKDDDDKENLYFQGDVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGATLARRLSFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTASPAARPSATKMLSHQLVSQPGLNRGLILDLLDKLKNPG,posex_set/posex_self_docking_set/7SIU_9ID/7SIU_9ID_protein.pdb,posex_set/posex_self_docking_set/7SIU_9ID/7SIU_9ID_ligand_start_conf.sdf
7JXB_VLG,COc1cccc(-c2ccc(C(=O)O)cc2)c1,MISNSSAESISAPPNDSTIPHLAIDPFSLDFFDDPYPDQQTLRDAGPVVYLDKWNVYGVARYAEVHAVLNDPTTFCSSRGVGLSDFKKEKPWRPPSLILEADPPAHTRPRAVLSKVLSPATMKTIRDGFAAAADAKVDELLQRGCIDAIADLAEAYPLSVFPDAMGLKQEGREHLLPYAGLVFNAFGPPNELRQTAIERSAPHQAYVNEQCQRPNLAPGGFGACIHAFTDTGEITPDEAPLLVRSLLSAGLDTTVNGIGAAVYCLARFPGELQRLRSDPTLARNAFEEAVRFESPVQTFFRTTTREVELGGAVIGEGEKVLMFLGSANRDPRRWSDPDLYDITRKTSGHVGFGSGVHMCVGQLVARLEGEVMLSALARKVAAIDIDGPVKRRFNNTLRGLESLPVKLTPA,posex_set/posex_self_docking_set/7JXB_VLG/7JXB_VLG_protein.pdb,posex_set/posex_self_docking_set/7JXB_VLG/7JXB_VLG_ligand_start_conf.sdf
7OFY_VCW,O=S(=O)(O)C[C@H]1O[C@H](OC[C@H](O)CO)[C@H](O)[C@@H](O)[C@@H]1O,MDAELKIFVSSQHQPDIWRKALDQYEAKTPGVKVVIETGGNTSEMQAQYLNTVMSAKDSSLDVLMLDVIRPAQFATAGWTSDFSGKDLSAYLPTYAEANTVNGKIVALPAFADSMFLYYRKDLLDKYGIKPPTTWDELKEASKKVMEGEKNPELQGLSFQGKAIEGAVCTFLLPYWSEGKSLVENGKLNFDNKAAVDSLKLWKSFVDDGISKKNISEVATDDTRKEFQAGKVLFAVNWSYAWTHFQGKESQVNDKVGVARLPAVKGGEQTTCLGGWEFGVSAYSKQQDEAKKLVEYLSSQDVSKFMAINAALLPTYAALYKDADVTKTIPWFADALPVVETAKARPVTPRYNEVSETIRTTVNGVLAGVMTPEDGAKQMESRLRRVLRLEHHHHHH,posex_set/posex_self_docking_set/7OFY_VCW/7OFY_VCW_protein.pdb,posex_set/posex_self_docking_set/7OFY_VCW/7OFY_VCW_ligand_start_conf.sdf
8QQ4_WEE,N[C@@H](CO)Cn1nnc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1,GPGPEIVDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNLRSLVLDTKDLTIEKVVINGQEVKYALGERQSYKGSPMEISLPIALSKNQEIVIEISFETSPKSSALQWLTPEQTSGKEHPYLFSQCQAIHCRAILPCQDTPSVKLTYTAEVSVPKELVALMSAIRDGETPDPEDPSRKIYKFIQKVPIPCYLIALVVGALESRQIGPRTLVWSEKEQVEKSAYEFSETESMLKIAEDLGGPYVWGQYDLLVLPPSFPYGGMENPCLTFVTPTLLAGDKSLSNVIAHEISHSWTGNLVTNKTWDHFWLNEGHTVYLERHICGRLFGEKFRHFNALGGWGELQNSVKTFGETHPFTKLVVDLTDIDPDVAYSSVPYEKGFALLFYLEQLLGGPEIFLGFLKAYVEKFSYKSITTDDWKDFLYSYFKDKVDVLNQVDWNAWLYSPGLPPIKPNYDMTLTNACIALSQRWITAKEDDLNSFNATDLKDLSSHQLNEFLAQTLQRAPLPLGHIKRMQEVYNFNAINNSEIRFRWLRLCIQSKWEDAIPLALKMATEQGRMKFTRPLFKDLAAFDKSHDQAVRTYQEHKASMHPVTAMLVGKDLKVD,posex_set/posex_self_docking_set/8QQ4_WEE/8QQ4_WEE_protein.pdb,posex_set/posex_self_docking_set/8QQ4_WEE/8QQ4_WEE_ligand_start_conf.sdf
8UOK_X5N,O=C1COc2ccc(-c3cnc4ccccn34)nc2N1C1CCNCC1,GAMGSDEQPHIGNYRLLKTLGKGNFAKVKRARHILTGREVAIKIIDKTQLNPTSLQKLFREVRIMKILNHPNIIKLFEVIETEKTLYLIMEYASKGEVYDYLVEHGRMKEKEARSKFRQIVSAVQYCHQKRIVHRDLKAENLLLDADMNIKIADFGFSNEFTKGGKLDTFCGSPPYAAPELFQGKKYDGPEVDVWSLGVILYTLVSGSLPFDGQNLKELRERVLRGKYRIPFYMSTDCENLLKRFLVLNPIKRGTLEQIMKDRWINAGHEEDELKPFVEPELDISDQKRIDIMVGMGYSQEEIQESLSKMKYDEITATYLLLGRKSSE,posex_set/posex_self_docking_set/8UOK_X5N/8UOK_X5N_protein.pdb,posex_set/posex_self_docking_set/8UOK_X5N/8UOK_X5N_ligand_start_conf.sdf
8E5M_UKR,O=C(O)C1(CN2C[C@H](CN3CCC(CCS(=O)(=O)c4ccc(F)cc4)CC3)[C@@H](c3cccc(F)c3)C2)CCCC1,MSAKSRTIGIIGAPFSKGQPRGGVEEGPTVLRKAGLLEKLKEQECDVKDYGDLPFADIPNDSPFQIVKNPRSVGKASEQLAGKVAEVKKNGRISLVLGGDHSLAIGSISGHARVHPDLGVIWVDAHTDINTPLTTTSGNLHGQPVSFLLKELKGKIPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYILKTLGIKYFSMTEVDRLGIGKVMEETLSYLLGRKKRPIHLSFDVDGLDPSFTPATGTPVVGGLTYREGLYITEEIYKTGLLSGLDIMEVNPSLGKTPEEVTRTVNTAVAITLACFGLAREGNHKPIDYLNPPK,posex_set/posex_self_docking_set/8E5M_UKR/8E5M_UKR_protein.pdb,posex_set/posex_self_docking_set/8E5M_UKR/8E5M_UKR_ligand_start_conf.sdf
7S3T_QRP,O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@@H]12,VTTTATLTYPFHDWSQELSPRYAQLRASDAPVCPVVSEGTGDPLWLVTRYATAVKLLEDSRFSSEAAIASGAPRQEPVELRAPGTRADGVAMLREAGLRSVLADGLGPRAVRRHQGWINDLAETLMSELASREGTFDLAADFVEPLSSALVSRTLLGELSADERDLLAHCADTGLRFCGVTHEEQVHAFTQMHEFFLEHARRLAGTPGEHLLKLIAEAPVDQGPLSDEALAEAGSLLVVAGFPTSSGFLCGALLTLLRHPDAVQELHAHPERVPSAVEELLRYTPLSTGSVKRMATEDLEIDGVRIKAGEVVMVSLEAVNHDPDAFEDPDVFRPGREGPMHFGFGRGRHFCPGNRLARCVIEATVRAVARRPGLRLAVAPEEISWHEGLFFRRPRAIPATW,posex_set/posex_self_docking_set/7S3T_QRP/7S3T_QRP_protein.pdb,posex_set/posex_self_docking_set/7S3T_QRP/7S3T_QRP_ligand_start_conf.sdf
7UAS_MBU,CCn1cc(-c2cc(Cn3ccnc3C)cc3c2CCN([C@H](c2cc(C)ccn2)C2CC2)C3=O)c(C(F)(F)F)n1,SATQSKPTPVKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFNRDGSLIVSSSYDGLCRIWDTASGQCLKTLIDDDNPPVSFVKFSPNGKYILAATLDNTLKLWDYSKGKCLKTYTGHKNEKYCIFANFSVTGGKWIVSGSEDNLVYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKLWKSDC,posex_set/posex_self_docking_set/7UAS_MBU/7UAS_MBU_protein.pdb,posex_set/posex_self_docking_set/7UAS_MBU/7UAS_MBU_ligand_start_conf.sdf
8EA6_VMB,CN(C)C(=O)[C@@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1,MGPLTESYCGPCPKNWICYKNNCYQFFDEEKNWYESQASCMSQNASLLKVYSKEDQDLLKLVKSYHWMGLVHIPTNGSWQWEDGSSLSPNLLTIIEMQKGDCALYASSFKGYIENCSTPNTYICMQRTV,posex_set/posex_self_docking_set/8EA6_VMB/8EA6_VMB_protein.pdb,posex_set/posex_self_docking_set/8EA6_VMB/8EA6_VMB_ligand_start_conf.sdf
7P5T_5YG,COc1ccc(CNc2ccc(Cc3ccncc3)cc2)cc1,GTEAPDVDLADGNFYASREARAAYRWMRANQPVFRDRNGLAAASTYQAVIDAERQPELFSNAGGIRPDQPALPMMIDMDDPAHLLRRKLVNAGFTRKRVKDKEASIAALCDTLIDAVCERGECDFVRDLAAPLPMAVIGDMLGVRPEQRDMFLRWSDDLVTFLSSHVSQEDFQITMDAFAAYNDFTRATIAARRADPTDDLVSVLVSSEVDGERLSDDELVMETLLILIGGDETTRHTLSGGTEQLLRNRDQWDLLQRDPSLLPGAIEEMLRWTAPVKNMCRVLTADTEFHGTALCAGEKMMLLFESANFDEAVFCEPEKFDVQRNPNSHLAFGFGTHFCLGNQLARLELSLMTERVLRRLPDLRLVADDSVLPLRPANFVSGLESMPVVFTPSPPLG,posex_set/posex_self_docking_set/7P5T_5YG/7P5T_5YG_protein.pdb,posex_set/posex_self_docking_set/7P5T_5YG/7P5T_5YG_ligand_start_conf.sdf
8PQB_9XO,CN(C)[C@@](C)(c1ccc(F)cc1)c1cnc(N2CCN(c3ncnn4cc(-c5cnn(C)c5)cc34)CC2)nc1,GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH,posex_set/posex_self_docking_set/8PQB_9XO/8PQB_9XO_protein.pdb,posex_set/posex_self_docking_set/8PQB_9XO/8PQB_9XO_ligand_start_conf.sdf
8DX8_T27,Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1,MVPISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFAAQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLSKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNKGRQKVVPLTNTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDKSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAG|PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFKKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLSKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQ,posex_set/posex_self_docking_set/8DX8_T27/8DX8_T27_protein.pdb,posex_set/posex_self_docking_set/8DX8_T27/8DX8_T27_ligand_start_conf.sdf
9INW_A1L2V,O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc(O)cc1O,MTVFRQENVDDYYDTGEELGSGQFAVVKKCREKSTGLQYAAKFIKKRRTKSSRRGVSREDIEREVSILKEIQHPNVITLHEVYENKTDVILILELVAGGELFDFLAEKESLTEEEATEFLKQILNGVYYLHSLQIAHFDLKPENIMLLDRNVPKPRIKIIDFGLAHKIDFGNEFKNIFGTPEFVAPEIVNYEPLGLEADMWSIGVITYILLSGASPFLGDTKQETLANVSAVNYEFEDEYFSNTSALAKDFIRRLLVKDPKKRMTIQDSLQHPWIKPKDTQQALSLEHHHHHH,posex_set/posex_self_docking_set/9INW_A1L2V/9INW_A1L2V_protein.pdb,posex_set/posex_self_docking_set/9INW_A1L2V/9INW_A1L2V_ligand_start_conf.sdf
7V0H_OUO,O=C(O)CC[C@H](CO)C(=O)O,MAHHHHHHMSKLAGKVAIVTGASKGIGAAIAKALADEGAAVVVNYASSKAGADAVVSAITEAGGRAVAVGGDVSKAADAQRIVDTAIETYGRLDVLVNNSGVYEFAPIEAITEEHYRRQFDTNVFGVLLTTQAAVKHLGEGASIINISSVVTSITPPASAVYSGTKGAVDAITGVLALELGPRKIRVNAINPGMIVTEGTHSAGIIGSDLEAQVLGQTPLGRLGEPNDIASVAVFLASDDARWMTGEHLVVSGGLN,posex_set/posex_self_docking_set/7V0H_OUO/7V0H_OUO_protein.pdb,posex_set/posex_self_docking_set/7V0H_OUO/7V0H_OUO_ligand_start_conf.sdf
9AZX_A1AH3,N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_self_docking_set/9AZX_A1AH3/9AZX_A1AH3_protein.pdb,posex_set/posex_self_docking_set/9AZX_A1AH3/9AZX_A1AH3_ligand_start_conf.sdf
8VV8_A1AEB,CNc1cc(C)nc(Nc2ccc(OC)c(OC[C@H](O)CN3CCC3)c2)n1,SNRAIRTEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDRNITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIFECNQACSCWRNCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICEYVGELISDAEADVREDDSYLFDLDNKDGEVYCIDARYYGNISRFINHLCDPNIIPVRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFTCQCGSEKCKHSAEAIALEQSRLARLD,posex_set/posex_self_docking_set/8VV8_A1AEB/8VV8_A1AEB_protein.pdb,posex_set/posex_self_docking_set/8VV8_A1AEB/8VV8_A1AEB_ligand_start_conf.sdf
7Y8C_IJV,COc1cc(C=O)cc(OC)c1O,MTLEKFVDALPIPDTLKPVQQSKEKTYYEVTMEECTHQLHRDLPPTRLWGYNGLFPGPTIEVKRNENVYVKWMNNLPSTHFLPIDHTIHHSDSQHEEPEVKTVVHLHGGVTPDDSDGYPEAWFSKDFEQTGPYFKREVYHYPNQQRGAILWYHDHAMALTRLNVYAGLVGAYIIHDPKEKRLKLPSDEYDVPLLITDRTINEDGSLFYPSAPENPSPSLPNPSIVPAFCGETILVNGKVWPYLEVEPRKYRFRVINASNTRTYNLSLDNGGDFIQIGSDGGLLPRSVKLNSFSLAPAERYDIIIDFTAYEGESIILANSAGCGGDVNPETDANIMQFRVTKPLAQKDESRKPKYLASYPSVQHERIQNIRTLKLAGTQDEYGRPVLLLNNKRWHDPVTETPKVGTTEIWSIINPTRGTHPIHLHLVSFRVLDRRPFDIARYQESGELSYTGPAVPPPPSEKGWKDTIQAHAGEVLRIAATFGPYSGRYVWHCHILEHEDYDMMRPMDITDPHK,posex_set/posex_self_docking_set/7Y8C_IJV/7Y8C_IJV_protein.pdb,posex_set/posex_self_docking_set/7Y8C_IJV/7Y8C_IJV_ligand_start_conf.sdf
8J2V_T83,COc1cc2ccc(=O)oc2cc1O,SSQLHVAIVSSPGMGHLIPVLVLGNRLATHHNIKITILAITTTSSSAETEFLKKTTLTNEEKTIEIIPVPSVDISHLINSSTKIFTQLRLLVREALPKIHSTIASMTHRPDALIVDIFCTQILPIAEEFNISKYTYHPTTAWTLALAIYCQVFDKEIEGEYVELKEPLKIPGCKALRPDDVVDPLLDRSDQQYEEYVKLGKEYTDFDGILINTWEDLEPETINALRYNEKLRLLLKVPVFPIGPLRRKVETTLNDEVIQWLDKQNNESVLFVSFGSGGTLSTKQMTELAWGLELSQQKFVWVVRPPSDGDADSAYLNSAGKDTRDMSEYLPEGFLTRTKDMGLVVPMWANQVEILSHSSVGGFLTHCGWNSTVESLTNGVPMIAWPLHAEQKMNAAMLTEELGVAIRPAVLPTKKLVKREEIQGMVRILMQTKEGKRIKEKAKKLKKSAENALSDGGSSYNSICELVKDIRSREL,posex_set/posex_self_docking_set/8J2V_T83/8J2V_T83_protein.pdb,posex_set/posex_self_docking_set/8J2V_T83/8J2V_T83_ligand_start_conf.sdf
8P8Y_X78,CC(=O)Nc1nc2cccc(-c3c(C(=O)O)[nH]c4c(C(C)C)cccc34)c2s1,MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSV,posex_set/posex_self_docking_set/8P8Y_X78/8P8Y_X78_protein.pdb,posex_set/posex_self_docking_set/8P8Y_X78/8P8Y_X78_ligand_start_conf.sdf
7PJK_7SE,O=C1CC[C@H](n2nc3ccccc3n2)C(=O)N1,AMPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD,posex_set/posex_self_docking_set/7PJK_7SE/7PJK_7SE_protein.pdb,posex_set/posex_self_docking_set/7PJK_7SE/7PJK_7SE_ligand_start_conf.sdf
8V9I_A1AAN,Cc1ncc(C[n+]2c([C@@](C)(O)[P@](=O)(O)OCCc3cn([C@H](Cc4ccccc4)C(=O)O)nn3)sc(CCO[P@](=O)(O)OP(=O)(O)O)c2C)c(N)n1,MGSSHHHHHHSSGLVPRGSHMMNELPGTSDTPLLDQIHGPKDLKRLSREQLPALTEELRGEIVRVCSRGGLHLASSLGAVDIITALHYVLDSPRDRILFDVGHQAYAHKILTGRRDQMADIKKEGGISGFTKVSESEHDAITVGHASTSLANALGMALARDAQGKDFHVAAVIGDGSLTGGMALAALNTIGDMGRKMLIVLNDNEMSISENVGAMNKFMRGLQVQKWFQEGEGAGKKAVEAVSKPLADFMSRAKNSTRHFFDPASVNPFAAMGVRYVGPVDGHNVQELVWLLERLVDLDGPTILHIVTTKGKGLSYAEADPIYWHGPAKFDPATGEYVPSSAYSWSAAFGEAVTEWAKTDPRTFVVTPAMREGSGLVEFSRVHPHRYLDVGIAEEVAVTTAAGMALQGMRPVVAIYSTFLQRAYDQVLHDVAIEHLNVTFCIDRAGIVGADGATHNGVFDLSFLRSIPGVRIGLPKDAAELRGMLKYAQTHDGPFAIRYPRGNTAQVPAGTWPDLKWGEWERLKGGDDVVILAGGKALDYALKAAEDLPGVGVVNARFVKPLDEEMLREVGGRARALITVEDNTVVGGFGGAVLEALNSMNLHPTVRVLGIPDEFQEHATAESVHARAGIDAPAIRTVLAELGVDVPIEV,posex_set/posex_self_docking_set/8V9I_A1AAN/8V9I_A1AAN_protein.pdb,posex_set/posex_self_docking_set/8V9I_A1AAN/8V9I_A1AAN_ligand_start_conf.sdf
8PBO_Y5I,Cc1nnc(-c2ccc(OCCCOc3ccc(CCC(=O)O)c(F)c3)c(F)c2)s1,GLNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY,posex_set/posex_self_docking_set/8PBO_Y5I/8PBO_Y5I_protein.pdb,posex_set/posex_self_docking_set/8PBO_Y5I/8PBO_Y5I_ligand_start_conf.sdf
7XBN_PXI,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@@H](C)C[C@H](C)C(=O)/C=C/[C@H]1C,MGSSHHHHHHSSGLVPRGSHMRRTQQGTTASPPVLDLGALGQDFAADPYPTYARLRAEGPAHRVRTPEGDEVWLVVGYDRARAVLADPRFSKDWRNSTTPLTEAEAALNHNMLESDPPRHTRLRKLVAREFTMRRVELLRPRVQEIVDGLVDAMLAAPDGRADLMESLAWPLPITVISELLGVPEPDRAAFRVWTDAFVFPDDPAQAQTAMAEMSGYLSRLIDSKRGQDGEDLLSALVRTSDEDGSRLTSEELLGMAXILLVAGHETTVNLIANGMYALLSHPDQLAALRADMTLLDGAVEEMLRYEGPVESATYRFPVEPVDLDGTVIPAGDTVLVVLADAHRTPERFPDPHRFDIRRDTAGHLAFGHGIHFCIGAPLARLEARIAVRALLERCPDLALDVSPGELVWYPNPMIRGLKALPIRWRRGREAGRRTGLEHHHHHH,posex_set/posex_self_docking_set/7XBN_PXI/7XBN_PXI_protein.pdb,posex_set/posex_self_docking_set/7XBN_PXI/7XBN_PXI_ligand_start_conf.sdf
8B2U_SAL,O=C(O)c1ccccc1O,MAHHHHHHVDDDDKMDTPSNSMRPVADDNIDHTSHTPNGVASAFILEATVNVISGPKVLMKQIPIWLPLGIADQKTYSFDSTTAAIMLASYTITHFGKANNPLVRVNRLGQGIPDHPLRLLRMGNQAFLQEFVLPPVQLPQYFTFDLTALKLVTQPLPAATWTDETPSNLSGALRPGLSFHPKLRPVLLPGKTGKKGHVSDLTAPDKIQTIVNLMQDFKIVPIDPAKSIIGIEVPELLVHKLTGKKMSQKNGQPIIPVLLPKYIGLDPISPGDLTMVITPDYDDCHSPASCSYLSEK,posex_set/posex_self_docking_set/8B2U_SAL/8B2U_SAL_protein.pdb,posex_set/posex_self_docking_set/8B2U_SAL/8B2U_SAL_ligand_start_conf.sdf
8OTV_W0O,CN1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1,SMERIEGASVGRCAASPYLRPLTLHYRQNGAQKSWDFMKTHDSVTVLLFNSSRRSLVLVKQFRPAVYAGEVERRFPGSLAAVDQDGPRELQPALPGSAGVTVELCAGLVDQPGLSLEEVACKEAWEECGYHLAPSDLRRVATYWSGVGLTGSRQTMFYTEVTDAQRSGPGGGLVEEGELIEVVHLPLEGAQAFADDPDIPKTLGVIFGVSWFLSQVAPNLDLQ,posex_set/posex_self_docking_set/8OTV_W0O/8OTV_W0O_protein.pdb,posex_set/posex_self_docking_set/8OTV_W0O/8OTV_W0O_ligand_start_conf.sdf
7ED2_A3P,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O,MTDSLLSLVLPDRVASAEVYDDPPGLSPLPEEEPLIARSVAKRRNEFVTVRYCARQALGELGVGPVPILKGDKGEPCWPDGVVGSLTHCQGFRGAVVGRSTDVRSVGIDAEPHDVLPNGVLDAITLPIERAELRGLPGDLHWDRILFCAKEATYKAWYPLTHRWLGFEDAHITFEVDGSGTAGSFRSRILIDPVAEHGPPLTALDGRWSVRDGLAVTAIVLLEHHHHHH,posex_set/posex_self_docking_set/7ED2_A3P/7ED2_A3P_protein.pdb,posex_set/posex_self_docking_set/7ED2_A3P/7ED2_A3P_ligand_start_conf.sdf
9C1R_A1ATS,Cn1ccc([C@H]2C[C@H](N(c3cc(F)c(NC(=O)c4ccnn(-c5ccc(F)cn5)c4=O)cc3F)c3nccn4nccc34)C2)n1,MQNTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARNMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIGEHHHHHH,posex_set/posex_self_docking_set/9C1R_A1ATS/9C1R_A1ATS_protein.pdb,posex_set/posex_self_docking_set/9C1R_A1ATS/9C1R_A1ATS_ligand_start_conf.sdf
7UP2_NZR,Cc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1,GSKLEFGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE,posex_set/posex_self_docking_set/7UP2_NZR/7UP2_NZR_protein.pdb,posex_set/posex_self_docking_set/7UP2_NZR/7UP2_NZR_ligand_start_conf.sdf
8FBU_XOL,O=C(Nc1nccs1)c1cccc2[nH]c(-c3ccccc3N3CCNCC3)nc12,GPGSKPHKFWNTQPVVQNDDSSSEYSFGPIEIEPDSFRKEIYKLPDGFSWFDCNLWDIESQDFEDTYQLLKDHYVEDDDSQFRFNYSKEFLRWALCVPGQKKNWLVGVRVNETKKMVGFISAIPIKVRIHNCIMNTSVVNFLCVHKKLRSKRLAPVLIKEITRRIRCEKIFQSIYTCGKNITKPFTIGTYWHRIINVKKLLEAGFIGIPRNMTMSSLIKYHRIPADKRIEGFRPSVDSDAEQICKLFENYFMKYKDVSNETMNNLINYDEINHSKELGKQAYMKLDKIEDLQDKITIHQCFNVEDVKHYFTNIDKVIVTYVRENKNKEITDLFSFFIIESTVINNERFPTINIAYSYFNIANTCSLKELFNEMLITAKNNNCDAFNTLDLMQNLQVIQDSKFIIGTGRLRYYVFNWKIPQISPSNVGIILF,posex_set/posex_self_docking_set/8FBU_XOL/8FBU_XOL_protein.pdb,posex_set/posex_self_docking_set/8FBU_XOL/8FBU_XOL_ligand_start_conf.sdf
7TE8_P0T,C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O,SEVQLQASGGGFVQPGGSLRLSCAASGSTSRQYDMGWFRQAPGKEREFVSAISSNQDQPPYYADSVKGRFTISRDNSKNTVYLQMNSLRAEDTATYYCAFKQHHANGAYWGQGTQVTVSS|SEVQLQASGGGFVQPGGSLRLSCAASGTTYGQTNMGWFRQAPGKEREFVSAISGLQGRDLYYADSVKGRFTISRDNSKNTVYLQMNSLRAEDTATYYCAFHDFLRMWEYWGQGTQVTVSS,posex_set/posex_self_docking_set/7TE8_P0T/7TE8_P0T_protein.pdb,posex_set/posex_self_docking_set/7TE8_P0T/7TE8_P0T_ligand_start_conf.sdf
5SD7_I0E,CCc1nc(N)nc(N)c1OCCCOc1ccccc1C[C@H](C)C(=O)O,MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND,posex_set/posex_self_docking_set/5SD7_I0E/5SD7_I0E_protein.pdb,posex_set/posex_self_docking_set/5SD7_I0E/5SD7_I0E_ligand_start_conf.sdf
8V4G_CDP,Nc1ccn([C@@H]2O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1,GHMNEILKKRLKLLKNNFGTHINKIANKKILITGANGYIGSILTLILHGNAKLYCLVRNKDKMIDRFQEICGDIDKIDIYEDLYKIQDKIDIVIHCAAPTQSDFFIENPIDTVDIIYTNTKNILDFSKKNNVEKIIFLSTMEIYGDVIGDNIVEDDIGKFSVTNIRNSYPLAKQISEFMVHSYSKKYSLSTAIVRLTQAIGPTAQINDNRVYMDFIRSAIKKSQITLFTKGETKREYIDVFDVATAIIFVMCEKKMFEIYNISNPNIFISIYDLAKTISAKLNVQVVFDLQRDTSQYLPSFSRRLNSKKIYQLGWTPLFDLNQSLDDMIKYIKEVNE,posex_set/posex_self_docking_set/8V4G_CDP/8V4G_CDP_protein.pdb,posex_set/posex_self_docking_set/8V4G_CDP/8V4G_CDP_ligand_start_conf.sdf
8SU1_210,NCCC(O)(P(=O)(O)O)P(=O)(O)O,MGSSHHHHHHSSGLVPRGSHMVHAFPHGTTATPTAIAVPPSLRLPVIEAAFPRQLHPYWPKLQETTRTWLLEKRLMPADKVEEYADGLCYTDLMAGYYLGAPDEVLQAIADYSAWFHVWDDRHDRDIVHGRAGAWRRLRGLLHTALDSPGDHLHHEDTLVAGFADSVRRLYAFLPATWNARFARHFHTVIEAYDREFHNRTRGIVPGVEEYLELRRLTFAHWIWTDLLEPSSGCELPDAVRKHPAYRRAALLSQEFAAWYNDLCSLPKEIAGDEVHNLGISLITHHSLTLEEAIGEVRRRVEECITEFLAVERDALRFADELADGTVRGKELSGAVRANVGNMRNWFSSVYWFHHESGRYMVDSWDDRSTPPYVNNEAAGEK,posex_set/posex_self_docking_set/8SU1_210/8SU1_210_protein.pdb,posex_set/posex_self_docking_set/8SU1_210/8SU1_210_ligand_start_conf.sdf
8JNC_E5I,CC[C@@H]1C[C@@H]2C[C@@H]3[C@H]4C/C=C\C(=O)NCC[C@H](O)[C@@H]5NC(=O)/C(=C(O)/C=C/[C@@H]4CC(=O)[C@H]3[C@@H]2[C@H]1C)C5=O,MPGQQEQQAPSEHPEQQELLTFPFASTGLEFPPVYHELYQQRLTKVRLPYGDDAYLAIRYADVKTVLSDSRFSIVASLGQDQPRTRAGARVGNGLFSLDPPQHSRLRSVLGRDFTPRRVEKLRERVRELTDQCLDRMEAAGSPADLVAHLAVPMPTAVVCEMMGVPEPDHHLFWGWAETILSNDTTPDDLIRRYQEFTAYMGAMVEERRARPTDDMFGMLVRACDEEGRITEIEMHALASDLLSAGFVSTAHQIANFTAMLLARPERLQPLVDKPEQIPAAVEELMRHVPILSGFSFPRYATEDLEMSGVTVRRGEAVIPVIAAANRDPDVYPDAGRLDLERNGLPHLGFGQGPHFCIGAHLARVELQVVLEALTERFPDLRFGIPENALKWKRGHFMNGLHELPVAW,posex_set/posex_self_docking_set/8JNC_E5I/8JNC_E5I_protein.pdb,posex_set/posex_self_docking_set/8JNC_E5I/8JNC_E5I_ligand_start_conf.sdf
8U0Z_N,O=P(O)(O)OC[C@H]1OC[C@H](O)[C@@H]1O,VKFRLPYGERVRLAKNPTGKKLFEIMIQKETNLCLAADVATAAELLDIADKVGPEICMLKTHVDILPDFTPDFGSKLRSIAEKHNFLIFEDRKFADIGNTVTMQYEGGIFKILDWADIVNAHIVSGPGIVDGLKLKGLPRGRGLLLLAEMSSSGNFAKGDYTAAAVKIAEGHSDFVIGFISVNPASWPSGPGNPALIHATPGVQLAKGGDALGQQYNTPFSVISERGSDIIIVGRGIIKAANPAEVAREYRLQGWDAYLLHCK,posex_set/posex_self_docking_set/8U0Z_N/8U0Z_N_protein.pdb,posex_set/posex_self_docking_set/8U0Z_N/8U0Z_N_ligand_start_conf.sdf
7ZUY_MTA,CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,MDYKDDDDKAAMAVGGAGGSRVSSGRDLNCVPEIADTLGAVAKQGFDFLCMPVFHPRFKREFIQEPAKNRPGPQTRSDLLLSGRDWNTLIVGKLSPWIRPDSKVEKIRRNSEAAMLQELNFGAYLGLPAFLLPLNQEDNTNLARVLTNHIHTGHHSSMFWMRVPLVAPEDLRDDIIENAPTTHTEEYSGEEKTWMWWHNFRTLCDYSKRIAVALEIGADLPSNHVIDRWLGEPIKAAILPTSIFLTNKKGFPVLSKMHQRLIFRLLKLEVQFIITGTNHHSEKEFCSYLQYLEYLSQNRPPPNAYELFAKGYEDYLQSPLQPLMDNLESQTYEVFEKDPIKYSQYQQAIYKCLLDRVPEEEKDTNVQVLMVLGAGRGPLVNASLRAAKQADRRIKLYAVEKNPNAVVTLENWQFEEWGSQVTVVSSDMREWVAPEKADIIVSELLGSFADNELSPECLDGAQHFLKDDGVSIPGEYTSFLAPISSSKLYNEVRACREKDRDPEAQFEMPYVVRLHNFHQLSAPQPCFTFSHPNRDPMIDNNRYCTLEFPVEVNTVLHGFAGYFETVLYQDITLSIRPETHSPGMFSWFPILFPIKQPITVREGQTICVRFWRCSNSKKVWYEWAVTAPVCSAIHNPTGRSYTIGL|MHHHHHHHHRKETPPPLVPPAAREWNLPPNAPACMERQLEAARYRSDGALLLGASSLSGRCWAGSLWLFKDPCAAPNEGFCSAGVQTEAGVADLTWVGERGILVASDSGAVELWELDENETLIVSKFCKYEHDDIVSTVSVLSSGTQAVSGSKDICIKVWDLAQQVVLSSYRAHAAQVTCVAASPHKDSVFLSCSEDNRILLWDTRCPKPASQIGCSAPGYLPTSLAWHPQQSEVFVFGDENGTVSLVDTKSTSCVLSSAVHSQCVTGLVFSPHSVPFLASLSEDCSLAVLDSSLSELFRSQAHRDFVRDATWSPLNHSLLTTVGWDHQVVHHVVPTEPLPAPGPASVTE,posex_set/posex_self_docking_set/7ZUY_MTA/7ZUY_MTA_protein.pdb,posex_set/posex_self_docking_set/7ZUY_MTA/7ZUY_MTA_ligand_start_conf.sdf
8U1Y_5V9,c1cc(-c2ccc(CNC3CCCCC3)cc2)cs1,AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKLPEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQTIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVPAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEKK,posex_set/posex_self_docking_set/8U1Y_5V9/8U1Y_5V9_protein.pdb,posex_set/posex_self_docking_set/8U1Y_5V9/8U1Y_5V9_ligand_start_conf.sdf
7MOI_HPS,O=P(O)(O)Oc1ccccc1,GSFTEELHLIPPLNFSMVDNGIFRSGFPDSANFSFLQTLGLRSIIYLCPEPYPESNLQFLKSNGIRLFQFGIEGNKEPFVNIPDHKIRMALKVLLDEKNHPVLIHSKRGKHRTGCLVGCLRKLQKWCLTSIFDEYQRFAAAKARVSDQRFMEIFDVSSFSHIPMSFSCSIR,posex_set/posex_self_docking_set/7MOI_HPS/7MOI_HPS_protein.pdb,posex_set/posex_self_docking_set/7MOI_HPS/7MOI_HPS_ligand_start_conf.sdf
5SHO_JIC,Cn1ncc(C(=O)NC2CC2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_self_docking_set/5SHO_JIC/5SHO_JIC_protein.pdb,posex_set/posex_self_docking_set/5SHO_JIC/5SHO_JIC_ligand_start_conf.sdf
7VUU_3NY,O=[N+]([O-])c1ccc2[nH]nnc2c1,MKDTDSEEELREQFRVEDKDGNGYISAAELRIVMTNRGEPLTDEEVDELHRETDIDGDGQVNYEEFVQRMRAK,posex_set/posex_self_docking_set/7VUU_3NY/7VUU_3NY_protein.pdb,posex_set/posex_self_docking_set/7VUU_3NY/7VUU_3NY_ligand_start_conf.sdf
7UM8_NQF,Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CC[C@@H](N)C(=O)N3)oc2ccccc12,GDHGMGFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEEFAAQLGSDIVLQCDVAEDASIDTMFAELGKVWPKFDGFVHSIGFAPGDQLDGDYVNAVTREGFKIAHDISSYSFVAMAKACRSMLNPGSALLTLSYLGAERAIPNYNVMGLAKASLEANVRYMANAMGPEGVRVNAISAGPIRTLAASGIKDFRKMLAHCEAVTPIRRTVTIEDVGNSAAFLCSDLSAGISGEVVHVDGGFSIAAMNELELK,posex_set/posex_self_docking_set/7UM8_NQF/7UM8_NQF_protein.pdb,posex_set/posex_self_docking_set/7UM8_NQF/7UM8_NQF_ligand_start_conf.sdf
8S1X_BB2,CCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCC[C@H]1CO)C(C)C,MAILNILEFPDPRLRTIAKPVEVVDDAVRQLIDDMFETMYEAPGIGLAATQVNVHKRIVVMDLSEDKSEPRVFINPEFEPLTEDMDQYQEGCLSVPGFYENVDRPQKVRIKALDRDGNPFEEVAEGLLAVCIQHECDHLNGKLFVDYLSTLKRDRIRKKLEKQHRQQA|DYIRELRAALILLALKKQHAEDPDAQRVADELMKKLFDAAHRNDKDKVKKVVEEAKKVVSTYGSHHHHHH,posex_set/posex_self_docking_set/8S1X_BB2/8S1X_BB2_protein.pdb,posex_set/posex_self_docking_set/8S1X_BB2/8S1X_BB2_ligand_start_conf.sdf
8CHC_Y45,O=P(O)(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O,SAERRALKIGVNGIPVTLEPINAISNVGPRIVNQIFDTLVVRDFFSNGAPGNGINLMPSLAESWERIDDKSVRFKLRQKVMFHDGVEMTADDVAYTFSSERLWGPDAIKVIPLGGSYALDFDEPVVEDKYTVVIRTKTPTPLTESYMASWMGRIVPKAYYKTLGTAAFGNKPVGTGPYKFVEFVANDRVVIEANDAYWGLKPTASKITYQLVAEPATRVAGLISGEYDIVTTLTPDDMALINSYPDLETRGNIVENFHMFTFNMNQPVFQSKPLRRALALAVNRPLIVQSLWMNKATIPNGFNFPNYGKTFDPNRRAMEYNIEEAKRLVKESGYDGTPITYHTMGNYYANAVPALMMMIEMWKQIGVTVVPKVYAPGGAPKDQDSYMRNWSNGQWMTDAWATMICEFGPKGQVQKRWGWKAPAEFNDLCTKVSQIPDSKERFDAFNRLRDIFEEEAPAVILYQPFDVYAARKDVHWRPISFEMMEFRNNLAFGHHHHHH,posex_set/posex_self_docking_set/8CHC_Y45/8CHC_Y45_protein.pdb,posex_set/posex_self_docking_set/8CHC_Y45/8CHC_Y45_ligand_start_conf.sdf
8DOQ_BEZ,O=C(O)c1ccccc1,MAHHHHHHMTSTATSSPRVITSSPVVVALDYDNRDKALAFVERIDPRDCRLKVGKEMFTLLGPQFVRDLHQRGFEVFLDLKFHDIPNTTARAVAAAAELGVWMVNVHASGGARMMTAAREALLPFGKEAPLLIAVTVLTSMEASDLQDLGIMLSPADHAAKLAALTKRCGLDGVVCSAQEAVRFKQELGQEFKLVTPGIRPTGSDAGDQRRIMTPEQAQQAGVDYMVIGRPVTQSADPVATLASINASLNKGV,posex_set/posex_self_docking_set/8DOQ_BEZ/8DOQ_BEZ_protein.pdb,posex_set/posex_self_docking_set/8DOQ_BEZ/8DOQ_BEZ_ligand_start_conf.sdf
7DYT_HR3,COc1ccc(CNc2cnc(C(=O)O)cc2C(=O)O)cc1,STVPRLHRPSLQHFREQFLVPGRPVILKGVADHWPCMQKWSLEYIQEIAGCRTVPVEVGSRYTDEEWSQTLMTVNEFISKYIVNEPRDVGYLAQHQLFDQIPELKQDISIPDYCSLGDGEEEEITINAWFGPQGTISPLHQDPQQNFLVQVMGRKYIRLYSPQESGALYPHDTHLLHNTSQVDVENPDLEKFPKFAKAPFLSCILSPGEILFIPVKYWHYVRALDLSFSVSFWWS,posex_set/posex_self_docking_set/7DYT_HR3/7DYT_HR3_protein.pdb,posex_set/posex_self_docking_set/7DYT_HR3/7DYT_HR3_ligand_start_conf.sdf
8DSK_FFO,Nc1nc2c(c(=O)[nH]1)N(C=O)[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2,MGSSHHHHHHSSGLVPRGSHMDPVSVWGNTPLATVDPEIHDLIEKEKRRQCRGIELIASENFTSFAVIEALGSALTNKYSEGMPGNRYYGGNEYIDQIENLCRSRALQAFHLDAQSWGVNVQPYSGSPANFAAYTAVLNPHDRIMGLDLPSGGHLTHGYYTSGGKKISATSIYFESLPYKVNSTTGYIDYDRLEEKALDFRPKLIICGGSAYPRDWDYKRFREVADKCGALLLCDMAHTSGLVAAQEVNSPFEYCDIVTTTTHKSLRGPRAGMIFYRKGPKPPKKGQPENAVYDFEDKINFAVFPSLQGGPHNHQIGALAVALKQAASPGFKAYAKQVKANAVALGKYLMGKGYSLVTGGTENHLVLWDLRPLGLTGYKVEKLCDLCNITVNKNAVFGDSSALAPGGVRIGAPAMTSRGLVEKDFEQIGEFLHRAVTLTLEIQKEHGKLLKDFNKGLVNNKAIEDLKADVEKFSALFDMPGFLVSEMKYKD,posex_set/posex_self_docking_set/8DSK_FFO/8DSK_FFO_protein.pdb,posex_set/posex_self_docking_set/8DSK_FFO/8DSK_FFO_ligand_start_conf.sdf
8VR7_PAP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O,GGGHMILLKELKELFFLRTTYYLKKYNRSLPFGDMIVDRWDKAKLLGFGEGTSIYDSSIVLGEVKVGKDTWIGPNTILDGSGGGLIIGSNCSISAGVQIYTHDTVRKSLSGGKADIDKASTRIGSDCYLGPNTIIVKGVKIGDRVVVGANSLVLKDIPSDCKVFGSPAVIITDSLNYQRNNI,posex_set/posex_self_docking_set/8VR7_PAP/8VR7_PAP_protein.pdb,posex_set/posex_self_docking_set/8VR7_PAP/8VR7_PAP_ligand_start_conf.sdf
8JQ4_RM4,C[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O,MVKPEEVDKAYEVAKQRYAEIGVDTDAAMKELEKVPLSVHCWQGDDIHGFLFPNQELTGGIGVSGNYPGIARTPDELAGDMHEALSLIPGKHRVQLHAIYAVTDKKRDLDTLEPEDFDYWIDWAKQEGVGLDFNGTFFSHPMVKDNMTVSSPDPKVRDFWIRHGKISREISNYIGEKLGSQVVNNFWLPDGFKDNPIDKKTPRLRLLKALDEIIKDPLPEKNTIESFEGKLFGTGIESYTTGSHEFYQNYAISRNKLWTIDAGHFHPTEDVSDKFSAFFPFGKGLFMHVSRPVRWDSDHVVIMDDALIRITRSLVRDGYLDRTHIGLDFFDATINRVAAWVVGARATQKSLLQAMLAPIDQLKKDELNADFTTRLIETEELKSFPFGAVWDKFCQDHNTPVGFDWMNNIHQYEKDVQFKRDAKLVHGSHHHHHH,posex_set/posex_self_docking_set/8JQ4_RM4/8JQ4_RM4_protein.pdb,posex_set/posex_self_docking_set/8JQ4_RM4/8JQ4_RM4_ligand_start_conf.sdf
8CBR_RWR,Cc1ccc(C2CC2)c(-c2ccc3c(c2)CCCO3)c1[C@H](OC(C)(C)C)C(=O)O,SIQNFRVYYRDSRDPVWKGPAKLLEKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDEDMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNKKRKGGIGGYSAGERIVDIIATDIQTKE,posex_set/posex_self_docking_set/8CBR_RWR/8CBR_RWR_protein.pdb,posex_set/posex_self_docking_set/8CBR_RWR/8CBR_RWR_ligand_start_conf.sdf
7NZY_UX2,Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,MGSSHHHHHHSSGLVPRGSHMELRVGNRYRLGRKIGSGSFGDIYLGTDIAAGEEVAIKLECVKTKHPQLHIESKIYKMMQGGVGIPTIRWCGAEGDYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYRENKNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPWQGLKAATKRQKYERISEKKMSTPIEVLCKGYPSEFATYLNFCRSLRFDDKPDYSYLRQLFRNLFHRQGFSYDYVFDWNMLK,posex_set/posex_self_docking_set/7NZY_UX2/7NZY_UX2_protein.pdb,posex_set/posex_self_docking_set/7NZY_UX2/7NZY_UX2_ligand_start_conf.sdf
8ARJ_NRR,CN(C)/C=C\C(=O)c1ccc2[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc3c2c1,GSNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMAGGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKV,posex_set/posex_self_docking_set/8ARJ_NRR/8ARJ_NRR_protein.pdb,posex_set/posex_self_docking_set/8ARJ_NRR/8ARJ_NRR_ligand_start_conf.sdf
7PHN_7PX,CC(C)C(=O)N1C[C@H](NC(=O)[C@@H]2C[C@H](F)CN2)C[C@@H]1C(=O)NCc1ccc(C#Cc2ccccc2)cc1,HHHHHHENLYFQSMIKQRTLKNIIRATGVGLHSGEKVYLTLKPAPVDTGIVFSRTDLDPVVEIPARAENVGETTMSTTLVKGDVKVDTVEHLLSAMAGLGIDNAYVELSASEVPIMDGSAGPFVFLIQSAGLQEQEAAKKFIRIKREVSVEEGDKRAVFVPFDGFKVSFEIDFDHPVFRGRTQQASVDFSSTSFVKEVSRARTFGFMRDIEYLRSQNLALGGSVENAIVVDENRVLNEDGLRYEDEFVKHKILDAIGDLYLLGNSLIGEFRGFKSGHALNNQLLRTLIADKDAWEVVTFEDARTAPISYMRP,posex_set/posex_self_docking_set/7PHN_7PX/7PHN_7PX_protein.pdb,posex_set/posex_self_docking_set/7PHN_7PX/7PHN_7PX_ligand_start_conf.sdf
7Y88_GRG,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O,MGMPVPGTLSVEIPPRYCPLPTARHPDETVLARRTADWIDGFDLELTPQQRARMRGNDCPGFYGRIMPHSPTDRLQLAVDWCTVMFHFDDVHCDEGPATGRAARFADLATRIVRVLEAPDARLEGPGDTMLAPVRDLALRARRWATPAQMRRCAEAHRAWFLAVAWELGHRAARSTPALNDYAHMRQHTAAGAATLAWAEIVDGAEIPDRELSSPEVRALTELAFTTAAFDDDLFSYGKELWVARAEGTAPSGLGLVEILRRENRCGRPEALRAAVCLCNRLTHRFIALRERVLPDASAPLRAYLDHLCHLLPGNLEWGLTADRYRNPDGRTPGAVTTTASRDTDPPADTSPPAIPSIAWWWDPLGGRPATEHHHHHH,posex_set/posex_self_docking_set/7Y88_GRG/7Y88_GRG_protein.pdb,posex_set/posex_self_docking_set/7Y88_GRG/7Y88_GRG_ligand_start_conf.sdf
7MWU_ZPM,O=C(O)C1CCC1,LPQSVSRAAITAAYRRPETEAVSMLLEQARLPQPVAEQAHKLAYQLADKLRNQKNASGRAGMVQGLLQEFSLSSQEGVALMCLAEALLRIPDKATRDALIRDKISNGNWQSHIGRSPSLFVNAATWGLLFTGKLVSTHNEASLSRSLNRIIGKSGEPLIRKGVDMAMRLMGEQFVTGETIAEALANARKLEEKGFRYSYDMLGEAALTAADAQAYMVSYQQAIHAIGKASNGRGIYEGPGISIKLSALHPRYSRAQYDRVMEELYPRLKSLTLLARQYDIGINIDAEESDRLEISLDLLEKLCFEPELAGWNGIGFVIQAYQKRCPLVIDYLIDLATRSRRRLMIRLVKGAYWDSEIKRAQMDGLEGYPVYTRKVYTDVSYLACAKKLLAVPNLIYPQFATHNAHTLAAIYQLAGQNYYPGQYEFQCLHGMGEPLYEQVTGKVADGKLNRPCRIYAPVGTHETLLAYLVRRLLENGANTSFVNRIADTSLPLDELVADPVTAVEKLAQQEGQTGLPHPKIPLPRDLYGHGRDNSAGLDLANEHRLHHHHHH,posex_set/posex_self_docking_set/7MWU_ZPM/7MWU_ZPM_protein.pdb,posex_set/posex_self_docking_set/7MWU_ZPM/7MWU_ZPM_ligand_start_conf.sdf
7YY0_PNS,CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS,SMTGAVCPGSFDPVTLGHLDVFERAAAQFDEVIVAVLINPNKAGMFTVDERIEMIRESTADLPNLRVESGQGLLVDFVRERGLNAIVKGLRTGTDFEYELQMAQMNKHIAGVDTFFVATAPAYSFVSSSLAKEVATYGGDVSALLPASVHQRLLGKLRGQAQ,posex_set/posex_self_docking_set/7YY0_PNS/7YY0_PNS_protein.pdb,posex_set/posex_self_docking_set/7YY0_PNS/7YY0_PNS_ligand_start_conf.sdf
7R5F_I3V,Cc1[nH]c(=O)[nH]c(=O)c1N,MGSSYHHHHHHSSGENLYFQHMKHGRVFIIKSYSEDDIHRSIKYNIWCSTEHGNKRLDAAYRSMNGKGPVYLLFSVNGSGHFCGVAEMKSAVDYNTCAGVWSQDKWKGRFDVRWIFVKDVPNSQLRHIRLENNENKPVTNSRDTQEVPLEKAKQVLKIIASYKHTTS,posex_set/posex_self_docking_set/7R5F_I3V/7R5F_I3V_protein.pdb,posex_set/posex_self_docking_set/7R5F_I3V/7R5F_I3V_ligand_start_conf.sdf
7YCC_IQC,CCC(=O)N1CC2(CCN(c3nc(NC4CCN(C)CC4)nc4c(F)c(-c5c(C)ccc6[nH]ncc56)c(Cl)cc34)CC2)C1,GMTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK,posex_set/posex_self_docking_set/7YCC_IQC/7YCC_IQC_protein.pdb,posex_set/posex_self_docking_set/7YCC_IQC/7YCC_IQC_ligand_start_conf.sdf
8JQP_DHB,O=C(O)c1ccc(O)c(O)c1,MQLSHHHHHHSSGLVPRGSHMRTQVGIVGAGPAGLMLAHLLRREGIDAVVIERAAREHVRTRLRAGVLEQGTVEMLREAGVGGRIDAVGMEMHAIDFRFGGRSHRLDFHEASGGRRAWVYPQHEVVTDLMSACDAGDVPILYEAPVERIEGLEDDRARIVFGQDGAAGEITCDFVAGCDGFRGVSRGSMPAGIARGYDRIYPFGWLGILADAPPASPDVTWGCSDRGFAMMSMRSPTVTRLYLQCEPDEDPDAWSDDRIWSELHRRLDVEGMPSLREGPIRDKGVTAMRSFLSEPMQHGRLFLAGDAAHIVPPTGAKGLNSAMADIKVLAAALVDHYRHGRSDRLATYSERCLRRMWLVQRFSAALCTMVHQFPGQNEFVRRLQRADLDYMTGTHAGRLQFAENFTGLPIE,posex_set/posex_self_docking_set/8JQP_DHB/8JQP_DHB_protein.pdb,posex_set/posex_self_docking_set/8JQP_DHB/8JQP_DHB_ligand_start_conf.sdf
7N4Q_0B9,O=C(N[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1)[C@H](Nc1cc(F)cc(Cl)c1)C1CC1,GYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES,posex_set/posex_self_docking_set/7N4Q_0B9/7N4Q_0B9_protein.pdb,posex_set/posex_self_docking_set/7N4Q_0B9/7N4Q_0B9_ligand_start_conf.sdf
8QTG_WUQ,Cn1cnnc1[C@]1(c2cccc(-c3cc(C(F)(F)F)c[nH]c3=O)c2)C[C@H](C)C1,HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD,posex_set/posex_self_docking_set/8QTG_WUQ/8QTG_WUQ_protein.pdb,posex_set/posex_self_docking_set/8QTG_WUQ/8QTG_WUQ_ligand_start_conf.sdf
6ZRB_SAM,C[S@@+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,GSHMEPLKVEKFATANRGNGLRAVTPLRPGELLFRSDPLAYTVCKGSRGVVCDRCLLGKEKLMRCSQCRVAKYCSAKCQKKAWPDHKRECKCLKSCKPRYPPDSVRLLGRVVFKLMDGAPSESEKLYSFYDLESNINKLTEDRKEGLRQLVMTFQHFMREEIQDASQLPPAFDLFEAFAKVICNSFTICNAEMQEVGVGLYPSISLLNHSCDPNCSIVFNGPHLLLRAVRDIEVGEELTICYLDMLMTSEERRKQLRDQYCFECDCFRCQTQDKDADMLTGDEQVWKEVQESLKKIEELKAHWKWEQVLAMCQAIISSNSERLPDINIYQLKVLDCAMDACINLGLLEEALFYGTRTMEPYRIFFPGSHPVRGVQVMKVGKLQLHQGMFPQAMKNLRLAFDIMRVTHGREHSLIEDLILLLEECDANIRAS,posex_set/posex_self_docking_set/6ZRB_SAM/6ZRB_SAM_protein.pdb,posex_set/posex_self_docking_set/6ZRB_SAM/6ZRB_SAM_ligand_start_conf.sdf
7V6X_5RJ,Cc1ccccc1Cn1nnc2ccc(C(=O)[C@H]3C(=O)CCC[C@@H]3O)c(C)c2c1=O,GSHMVRKNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMVHASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSSHGLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGDVVLRYVSYKAEDTEKSEFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTYVAGFTGFHQFAEFTADDVGTAESGLNSAVLASNDEMVLLPINEPVHGTKRKSQIQTYLEHNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKRVGDVLSDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRVGCMMKDEEGKAYQSGGCGGFGKGNFSELFKSIEEYEKTLEAKQLVG,posex_set/posex_self_docking_set/7V6X_5RJ/7V6X_5RJ_protein.pdb,posex_set/posex_self_docking_set/7V6X_5RJ/7V6X_5RJ_ligand_start_conf.sdf
8A8Z_LDL,NNC(=O)c1ccc(Cn2cc(-c3ccc(N=C4NCCN4)cc3)nn2)cc1,GSNAGGSSPITGLVYDQRMMLHHNMWDSHHPELPQRISRIFSRHEELRLLSRCHRIPARLATEEELALCHSSKHISIIKSSEHMKPRDLNRLGDEYNSIFISNESYTCALLAAGSCFNSAQAILTGQVRNAVAIVRPPGHHAEKDTACGFCFFNTAALTARYAQSITRESLRVLIVDWDVHHGNGTQHIFEEDDSVLYISLHRYEDGAFFPNSEDANYDKVGLGKGRGYNVNIPWNGGKMGDPEYMAAFHHLVMPIAREFAPELVLVSAGFDAARGDPLGGFQVTPEGYAHLTHQLMSLAAGRVLIILEGGYNLTSISESMSMCTSMLLGDSPPSLDHLTPLKTSATVSINNVLRAHAPFWSSLR,posex_set/posex_self_docking_set/8A8Z_LDL/8A8Z_LDL_protein.pdb,posex_set/posex_self_docking_set/8A8Z_LDL/8A8Z_LDL_ligand_start_conf.sdf
8UCC_WFQ,Cc1cnc2c(NC(=O)c3cn4cc([C@]56CO[C@](C)(C5)C6)nc4nc3OC(C)C)cnn2c1,ENKSLEVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS,posex_set/posex_self_docking_set/8UCC_WFQ/8UCC_WFQ_protein.pdb,posex_set/posex_self_docking_set/8UCC_WFQ/8UCC_WFQ_ligand_start_conf.sdf
7TS4_K90,Cc1cc(N)nc(C#CCN2CCN(C)CC2)c1,CPRFLKVKNWETEVVLTDTLHLKSTLETGCTEYICMGSIMHPSQHARRPEDVATKDQLFPLAKEFIDQYYSSIKRFGSKAHMERLEEVNKEIDTTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQQGWKPPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFEWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYNILEEVAKKMNLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQPDPWNTHVWKLV,posex_set/posex_self_docking_set/7TS4_K90/7TS4_K90_protein.pdb,posex_set/posex_self_docking_set/7TS4_K90/7TS4_K90_ligand_start_conf.sdf
8PP8_3IA,O=P(O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O,GSHMSWVQLAGHTGSFKAAGTSGLILKRCSEPERYCLARLMADALRGCVPAFHGVVERDGESYLQLQDLLDGFDGPCVLDCKMGVRTYLEEELTKARERPKLRKDMYKKMLAVDPEAPTEEEHAQRAVTKPRYMQWREGISSSTTLGFRIEGIKKADGSCSTDFKTTRSREQVLRVFEEFVQGDEEVLRRYLNRLQQIRDTLEVSEFFRRHEVIGSSLLFVHDHCHRAGVWLIDFGKTTPLPDGQILDHRRPWEEGNREDGYLLGLDNLIGILASLAER,posex_set/posex_self_docking_set/8PP8_3IA/8PP8_3IA_protein.pdb,posex_set/posex_self_docking_set/8PP8_3IA/8PP8_3IA_ligand_start_conf.sdf
7LTY_YD7,CC(C)OC1CN(C(=O)N[C@@H]2CCCCc3cc(-c4ccnc(Nc5cnn(C)c5)n4)ccc32)C1,GSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES,posex_set/posex_self_docking_set/7LTY_YD7/7LTY_YD7_protein.pdb,posex_set/posex_self_docking_set/7LTY_YD7/7LTY_YD7_ligand_start_conf.sdf
8P7U_X3T,OC1(O)C=CCC=C1,GDRINTVRGPITISEAGFTLTHEHICGSSAGFLRAWPEFFGSRAALVEKAVRGLRRARAAGVRTIVDVSTFDIGRDVSLLAEVSRAADVHIVAATGLWEDPPLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATNGKATPFQELVLRAAARASLATGVPVTTHTLASQRDGEQQAAIFESEGLSPSRVCIGHSDDTDDLSYLTALAARGYLIGLDGIPHSAIGLEDNASASALLGNRSWQTRALLIKALIDQGYMKQILVSNDWLFGFSSYVTNIMDVMDSVNPDGMAFIPLRVIPFLREKGVSNETLAGITVTNPARFLSPTLRA,posex_set/posex_self_docking_set/8P7U_X3T/8P7U_X3T_protein.pdb,posex_set/posex_self_docking_set/8P7U_X3T/8P7U_X3T_ligand_start_conf.sdf
8IIE_URA,O=c1cc[nH]c(=O)[nH]1,AGAQDFVPHTADLAELAAAAGECRGCGLYRDATQAVFGAGGRSARIMMIGEQPGDKEDLAGLPFVGPAGRLLDRALEAADIDRDALYVTNAVKHFKFTRAAGGKRRIHKTPSRTEVVACRPWLIAEMTSVEPDVVVLLGATAAKALLGNDFRVTQHRGEVLHVDDVPGDPALVATVHPSSLLRGPKEERESAFAGLVDDLRVAADV,posex_set/posex_self_docking_set/8IIE_URA/8IIE_URA_protein.pdb,posex_set/posex_self_docking_set/8IIE_URA/8IIE_URA_ligand_start_conf.sdf
7R7K_25J,C[C@@H](Oc1cc(-c2cccc3c2CNC3=O)cnc1N)c1cc(F)ccc1-n1nccn1,MAHHHHHHNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMAGGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKV,posex_set/posex_self_docking_set/7R7K_25J/7R7K_25J_protein.pdb,posex_set/posex_self_docking_set/7R7K_25J/7R7K_25J_ligand_start_conf.sdf
7PAE_O7T,c1ccc(Cn2c(-c3ccc(OC[C@H](C4CCNCC4)n4c(-c5ccccc5)nc5ccccc54)cc3)nc3ccccc32)cc1,MGSHHHHHHGSENLYFQSAKDERAREILRGFKLNWMNLRDAETGKILWQGTEDLSVPGVEHEARVPKKILKCKAVSRELNFSSTEQMEKFRLEQKVYFKGQCLEEWFFEFGFVIPNSTNTWQSLIEAAPESQMMPASVLTGNVIIETKFFDDDLLVSTSRVRLFYV,posex_set/posex_self_docking_set/7PAE_O7T/7PAE_O7T_protein.pdb,posex_set/posex_self_docking_set/7PAE_O7T/7PAE_O7T_ligand_start_conf.sdf
7Q6H_PHU,NC(=O)Nc1ccccc1,MGHHHHHHAQLYACQDPTIFEERHLKYISQLGKGNFGSVELCRYDPLGDNTGALVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLDASRLLLYSSQICKGMEYLGSRRCVHRDLAARNILVESEAHVKIADFGLAKLLPLDKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGSERDVPALSRLLELLEEGQRLPAPPACPAEVHELMKLCWAPSPQDRPSFSALGPQLDMLWSGSRGCETHAFTAHPEGKHHSLSFS,posex_set/posex_self_docking_set/7Q6H_PHU/7Q6H_PHU_protein.pdb,posex_set/posex_self_docking_set/7Q6H_PHU/7Q6H_PHU_ligand_start_conf.sdf
8AGQ_M5O,Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)C2,MVVKVYGPAVAVCPQRVMACLLEKGVEFDLVHVDLDSGEQKLPEFLLKQPFGQVPVVEDGDFKLFESRAIIRYYAAKYEDRGPNLLGNTLEEKALVDQWLEIEAHNFNDLVFNIVFQVVILPRIGQQGDSELVRTYEEKLEKVLDVYEKRLSKSKYLAGDSFTLADLSHLPATRYLVNEAGLGHLVKDRKKLNAWWEDISSRPAWKKLMNLAGF,posex_set/posex_self_docking_set/8AGQ_M5O/8AGQ_M5O_protein.pdb,posex_set/posex_self_docking_set/8AGQ_M5O/8AGQ_M5O_ligand_start_conf.sdf
7DZ3_FUD,O=C(CO)[C@@H](O)[C@H](O)[C@H](O)CO,MTMQGFGVHTSMWTMNWDRPGAERAVAAALKYEVDFIEIPMLNPPAVDTEHTRALLEKNELRALCSLGLPERAWASVRPDAAIEHLKVAIDKTADLGGEALSGVIYGGIGERTGVPPTEAEYDNIARVLSAAAKHAKSRGIELGVEAVNRYENHLINTGWQAVQMIERVGADNIFVHLDTYHMNIEEKGVGNGILDAREHLKYIHLSESDRGTPGYGTCGWDEIFSTLAAIGFKGGLAMESFINMPPEVAYGLAVWRPVAKDEEEVMGNGLPFLRNKAKQYGLIGN,posex_set/posex_self_docking_set/7DZ3_FUD/7DZ3_FUD_protein.pdb,posex_set/posex_self_docking_set/7DZ3_FUD/7DZ3_FUD_ligand_start_conf.sdf
9CBK_A1AVM,NCc1ccc(C(=O)CS)cc1,SNAGGSSPITGLVYDQRMMLHHNMWDSHHPELPQRISRIFSRHEELRLLSRCHRIPARLATEEELALCHSSKHISIIKSSEHMKPRDLNRLGDEYNSIFISNESYTCALLAAGSCFNSAQAILTGQVRNAVAIVRPPGHHAEKDTACGFCFFNTAALTARYAQSITRESLRVLIVDWDVHHGNGTQHIFEEDDSVLYISLHRYEDGAFFPNSEDANYDKVGLGKGRGYNVNIPWNGGKMGDPEYMAAFHHLVMPIAREFAPELVLVSAGFDAARGDPLGGFQVTPEGYAHLTHQLMSLAAGRVLIILEGGYNLTSISESMSMCTSMLLGDSPPSLDHLTPLKTSATVSINNVLRAHAPFWSSLR,posex_set/posex_self_docking_set/9CBK_A1AVM/9CBK_A1AVM_protein.pdb,posex_set/posex_self_docking_set/9CBK_A1AVM/9CBK_A1AVM_ligand_start_conf.sdf
8TG3_HQG,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,MGSSHHHHHHSSGLVPRGSHMRVRLSKTLAGILRHHPGRYGVRLTREGWARVSEVVEGLRKAGWSWVEEWHIVGVALHDPKGRYELRNGEIRARYGHSIPVNVEPLPGEPPPILYHGTTEEALPLIMERGIMRGRRLKVHLTSSLEDAVSTGRRHGNLVAVLLVDVECLRRRGLKVERMSKTVYTVDWVPPECIAEVRRESLGRSL,posex_set/posex_self_docking_set/8TG3_HQG/8TG3_HQG_protein.pdb,posex_set/posex_self_docking_set/8TG3_HQG/8TG3_HQG_ligand_start_conf.sdf
8T2H_XIR,Cc1nc2ccc(-c3ccnc(N)c3)nc2n1-c1ccc(N2CCN(C)CC2)c(F)c1,DSSHKKERKVYNDGYDDDNYDYIVKNGEKWMDRYEIDSLIGKGSFGQVVKAYDRVEQEWVAIKIIKNKKAFLNQAQIEVRLLELMNKHDTEMKYYIVHLKRHFMFRNHLCLVFEMLSYNLYDLLRNTNFRGVSLNLTRKFAQQMCTALLFLATPELSIIHCDLKPENILLCNPKRSAIKIVDFGSSCQLGQRIYQYIQSRFYRSPEVLLGMPYDLAIDMWSLGCILVEMHTGEPLFSGANEVDQMNKIVEVLGIPPAHILDQAPKARKFFEKLPDGTWNLKKTKDGKREYKPPGTRKLHNILGVETGGPGGRRAGESGHTVADYLKFKDLILRMLDYDPKTRIQPYYALQHSFFKKTADEGTNTS,posex_set/posex_self_docking_set/8T2H_XIR/8T2H_XIR_protein.pdb,posex_set/posex_self_docking_set/8T2H_XIR/8T2H_XIR_ligand_start_conf.sdf
8JB3_NOS,O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,RYRVEYHLKSHRKDEFIDWVKGLLASPFVLHAVSHEGDYNDDLATTQRVRSQYADIFKDIEGLIKDKIEFDSRNMSQDEIEDGASSQSLNILGQSRLNLLVPSIGTFFTELPLEQAFLWEDSQRAISARRMVAPSFNDIRHILNTAQIFHFKKQENLHNGKVLRLVTFAGDVTLYEDGGSLVYTNPVIPYILKLLRCGINVGIVTAAGYDEAGTYENRLKGLIVALHDSTDIPVSQKQNLTIMGGESSYLFRYYEDPEEDNFGFRQIDKEEWLLPRMKAWSLEDVEKTLDFAERTLNRLRKRLNLPSEISIIRKVRAVGIVPGERYDEASKRQVPVKLDREQLEEIVLTLQNTLESFAPSRRIQFSCFDGGSDVWCDIGGKDLGVRSLQQFYNPESPIQPSETLHVGDQFAPVGSANDFKARLAGCTLWIASPQETVNYLHRLLETDHHHHHHHH,posex_set/posex_self_docking_set/8JB3_NOS/8JB3_NOS_protein.pdb,posex_set/posex_self_docking_set/8JB3_NOS/8JB3_NOS_ligand_start_conf.sdf
8RU8_I74,CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12,GPLGSPEFMENFQKVEKLGEGQYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIIKLLDVIHTENKLYLVFEFLHQDLEVFMKASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPNNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_self_docking_set/8RU8_I74/8RU8_I74_protein.pdb,posex_set/posex_self_docking_set/8RU8_I74/8RU8_I74_ligand_start_conf.sdf
7PWU_89H,O=C1N=NC(=O)c2cc(OCC3CC3)ccc21,MHHHHHHSSGVDLGTENLYFQSMNLPEHWTDMNHQLFCMVQLEPGQSEYNTIKDKFTRTCSSYAIEKIERIQNAFLWQSYQVKKRQMDIKNDHKNNERLLFHGTDADSVPYVNQHGFNRSCAGKNAVSYGKGTYFAVDASYSAKDTYSKPDSNGRKHMYVVRVLTGVFTKGRAGLVTPPPKNPHNPTDLFDSVTNNTRSPKLFVVFFDNQAYPEYLITFTA,posex_set/posex_self_docking_set/7PWU_89H/7PWU_89H_protein.pdb,posex_set/posex_self_docking_set/7PWU_89H/7PWU_89H_ligand_start_conf.sdf
9BRX_A1ASL,Cc1ccc(Nc2cc(C)nc3nncn23)c(C)c1,MREVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNCYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIKP,posex_set/posex_self_docking_set/9BRX_A1ASL/9BRX_A1ASL_protein.pdb,posex_set/posex_self_docking_set/9BRX_A1ASL/9BRX_A1ASL_ligand_start_conf.sdf
8ULE_5N6,CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)COC(C)=O)O[C@@](O)(C(=O)O)C[C@@H]1O,HMCNKNNTFEKNLDISHKPEPLILFNKDNNIWNSKYFRIPNIQLLNDGTILTFSDIRYNGPDDHAYIDIASARSTDFGKTWSYDIAMKNNRIDSTYSRVMDSTTVITNTGRIILIAGSWNTNGNWAMTTSTRRSDWSVQMIYSDDNGLTWSNKIDLTKDSSKVKNQPSNTIGWLGGVGSGIVMDDGTIVMPAQISLRENNENNYYSLIIYSKDNGETWTMGNKVPNSNTSENMVIELDGALIMSTRYDYSGYRAAYISHDLGSTWEIYEPLNGKVLTGKGSGCQGSFIKATTSNGHRIGLISAPKNTKGEYIRDNIAVYMIDFDDLSKRVQEICIPYPKDGNKLGGGYSCLSFKNSHLSIVYEANGNIEYQDLTPYYSLINKQ,posex_set/posex_self_docking_set/8ULE_5N6/8ULE_5N6_protein.pdb,posex_set/posex_self_docking_set/8ULE_5N6/8ULE_5N6_ligand_start_conf.sdf
7P0Q_U10,COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(/C)CCC=C(C)C)=C(C)C1=O,NFDLASLAIYSFWIFLAGLIYYLQTENMREGYPLENEDGTPAANQGPFPLPKPKTFILPHGRGTLTVPGPESEDRPIALARTAVSEGFPHAPTGDPMKDGVGPASWVARRDLPELDGHGHNKIKPMKAAAGFHVSAGKNPIGLPVRGCDLEIAGKVVDIWVDIPEQMARFLEVELKDGSTRLLPMQMVKVQSNRVHVNALSSDLFAGIPTIKSPTEVTLLEEDKICGYVAGGLMYAAPKRK|ALLSFERKYRVPGGTLVGGNLFDFWVGPFYVGFFGVATFFFAALGIILIAWSAVLQGTWNPQLISVYPPALEYGLGGAPLAKGGLWQIITICATGAFVSWALREVEICRKLGIGYHIPFAFAFAILAYLTLVLFRPVMMGAWGYAFPYGIWTHLDWVSNTGYTYGNFHYNPAHMIAITFFFTNALALALHGALVLSAANPEKGKEMRTPDHEDTFFRDLVGYSIGTLGIHRLGLLLSLSAVFFSALCMIITGTIWFDQWVDWWQWWVKLPWWANIPGGING|AEYQNIFTQVQVRGPADLGMTEDVNLANRSGVGPFSTLLGWFGNAQLGPIYLGSLGVLSLFSGLMWFFTIGIWFWYQAGWNPAVFLRDLFFFSLEPPAPEYGLSFAAPLKEGGLWLIASFFMFVAVWSWWGRTYLRAQALGMGKHTAWAFLSAIWLWMVLGFIRPILMGSWSEAVPYGIFSHLDWTNNFSLVHGNLHYNPFHGLSIAFLYGSALLFAMHGATILAVSRFGGERELEQIADRGTAAERAALFWRWTMGFNATMEGIHRWAIWMAVLVTLTGGIGILLSGTVVDNWYVWGQNHGM,posex_set/posex_self_docking_set/7P0Q_U10/7P0Q_U10_protein.pdb,posex_set/posex_self_docking_set/7P0Q_U10/7P0Q_U10_ligand_start_conf.sdf
8BN5_ABU,NCCCC(=O)O,GLTLKVVTVLEEPFVMVAENILGQPKRYKGFSIDVLDALAKALGFKYEIYQAPDGRYGHQLHNTSWNGMIGELISKRADLAISAITITPERESVVDFSKRYMDYSVGILIKKGTPIRTFQDLSKQVEMSYGTVRDSAVYEYFRAKGTNPLEQDSTFAELWRTISKNGGADNCVSSPSEGIRKAKKGNYAFLWDVAVVEYAALTDDDCSVTVIGNSISSKGYGIALQHGSPYRDLFSQRILELQDTGDLDVLKQKWWPHMGRCDLTSHASAQADGGTLEVLFQ,posex_set/posex_self_docking_set/8BN5_ABU/8BN5_ABU_protein.pdb,posex_set/posex_self_docking_set/8BN5_ABU/8BN5_ABU_ligand_start_conf.sdf
7N53_EV1,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,MARPKSEDKKQALLEAATQAIAQSGIAASTAVIARNAGVAEGTLFRYFATKDELINTLYLHLRQDLCQSLIMELDRSITDAKMMMRFIWNSGISWGLNHPARHRAIRQLAVSEKLTKETHQRDLDMFPELRDILHRRVLMVFMSDEYRAFGDGLFLALAETTMDFAARDPARAGEYIALGFEAMWRALTREEQ,posex_set/posex_self_docking_set/7N53_EV1/7N53_EV1_protein.pdb,posex_set/posex_self_docking_set/7N53_EV1/7N53_EV1_ligand_start_conf.sdf
7T3E_SLB,CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)O)C[C@@H]1O,METILKMGLQANVGSVEYDSAKILSDKISELSDGEMKLLLYPGAQLGDDRAMLQQLSMGDLDITFAEFGRMGLWIPRAEAVMLPYVVKNYAHIQRIFNSKFGQGVREEMLTNFNWRALDTWYNGTRQTSSNRPLNTISDFEGLKLRVPNAKANLAFAKYAGASPTPMVFSEVYLALQTNAVDGQENPLPTFNTMKFYEVQPNLAMTNHIVNDQMVLISEDRWQSLSKDQQATITEAVSVAGKRHTNFVNNQEKELITFFKAEGVNITYPDLAPFREAMLPIYKDFDKKIGKQLVEELSDI,posex_set/posex_self_docking_set/7T3E_SLB/7T3E_SLB_protein.pdb,posex_set/posex_self_docking_set/7T3E_SLB/7T3E_SLB_ligand_start_conf.sdf
8RAK_YMH,Cc1cc(NC(=O)c2c(O)nn3ccccc23)c(C(C)C)cc1Oc1ccncc1,MGHHHHHHHHHHSSGHIDDDDKHMATGDERFYAEHLMPTLQGLLDPESAHRLAVRFTSLGLLPRARFQDSDMLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSVTPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVNLGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSLQGKAELRRLLTKVLQERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGFGGVTDAIGADHRR,posex_set/posex_self_docking_set/8RAK_YMH/8RAK_YMH_protein.pdb,posex_set/posex_self_docking_set/8RAK_YMH/8RAK_YMH_ligand_start_conf.sdf
8PIF_YW6,O=C(O)Cc1ccoc1,SMADGNEDLRADDLPGPAFESYESMELACPAERSGHVAVSDGRHMFVWGGYKSNQVRGLYDFYLPREELWIYNMETGRWKKINTEGDVPPSMSGSCAVCVDRVLYLFGGHHSRGNTNKFYMLDSRSTDRVLQWERIDCQGIPPSSKDKLGVWVYKNKLIFFGGYGYLPEDKVLGTFEFDETSFWNSSHPRGWNDHVHILDTETFTWSQPITTGKAPSPRAAHACATVGNRGFVFGGRYRDARMNDLHYLNLDTWEWNELIPQGICPVGRSWHSLTPVSSDHLFLFGGFTTDKQPLSDAWTYCISKNEWIQFNHPYTEKPRLWHTACASDEGEVIVFGGCANNLLVHHRAAHSNEILIFSVQPK,posex_set/posex_self_docking_set/8PIF_YW6/8PIF_YW6_protein.pdb,posex_set/posex_self_docking_set/8PIF_YW6/8PIF_YW6_ligand_start_conf.sdf
9FQJ_A1IE5,Cc1cc(C(=O)Nc2cccc([C@]3(C)CCNC(=O)O3)c2)nc(C2CC2)n1,HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD,posex_set/posex_self_docking_set/9FQJ_A1IE5/9FQJ_A1IE5_protein.pdb,posex_set/posex_self_docking_set/9FQJ_A1IE5/9FQJ_A1IE5_ligand_start_conf.sdf
7UQ3_O2U,O=C(O)C[C@@H]1CC(=O)N(O)C1=O,MHHHHHHSSGVDLGTENLYFQSTVPRLHRPSLQHFREQFLVPGRPVILKGVADHWPCMQKWSLEYIQEIAGCRTVPVEVGSRYTDEEWSQTLMTVNEFISKYIVNEPRDVGYLAQHQLFDQIPELKQDISIPDYCSLGDGEEEEITINAWFGPQGTISPLHQDPQQNFLVQVMGRKYIRLYSPQESGALYPHDTHLLHNTSQVDVENPDLEKFPKFAKAPFLSCILSPGEILFIPVKYWHYVRALDLSFSVSFWWS,posex_set/posex_self_docking_set/7UQ3_O2U/7UQ3_O2U_protein.pdb,posex_set/posex_self_docking_set/7UQ3_O2U/7UQ3_O2U_ligand_start_conf.sdf
8CE3_UE0,CC(=O)N1CCC[C@](C(=O)O)(c2ccc(C)cc2)C1,SLAEIRTDFNILYSMMKKHEEFRWMRLRIRRMADAWIQAIKSLAEKQNLEKRKRKKVLVHLGLLTKESGFKIAETAFSGGPLGELVQWSDLITSLYLLGHDIRISASLAELKEIMGGGGVELIYIDIVGLAQFKKTLGPSWVHYQCMLRVLDSFGTEPEFNHANYAQSKGHKTPWGKWNLNPQQFYTMFPHTPDNSFLGFVVEQHLNSSDIHHINEIKRQNQSLVYGKVDSFWKNKKIYLDIIHTYMEVHATVYGSSTKNIPSYVKNHGILSGRDLQFLLRETKLFVGLGFPYEGPAPLEAIANGCAFLNPKFNPPKSSKNTDFFIGKPTLRELTSQHPYAEVFIGRPHVWTVDLNNQEEVEDAVKAILNQKIEPYMPYEFTCEGMLQRINAFIEKQDFCHGQVMWPPLSALQVKLAEPGQSCKQVCQESQLICEPSFFQHLNKDKDMLKYKVTCQSSELAKDILVPSFDPKNKHCVFQGDLLLFSCAGAHPRHQRVCPCRDFIKGQVALCKDCL,posex_set/posex_self_docking_set/8CE3_UE0/8CE3_UE0_protein.pdb,posex_set/posex_self_docking_set/8CE3_UE0/8CE3_UE0_ligand_start_conf.sdf
8TE9_8X3,O=S(=O)(O)CCO,MKHLLKAGALVALACIVTLTAGAQAHAAKRINIRLAHPMAPGNNVTVGYEKFKELVAEKSNGRVRIQLFGNCMLGSDRVTMEAAQRGTLEMASSSSPNMANFSKQWMVFDLPYITSPEHQQKLYKAIDDGELGKKLDEIAASIGLKPIMYSEYGYRNFVTTKKPIKTADDLKNLKVRTTDSPIEVAVAAALGMAPTPISWGETYTALQQGTVDGEGNTFSLLNDAKHTEVLKYAIDSAHNYSMHLLMMNKAYYDSLPANVQQILTEAGREALTYQRSITSELEKKAEDAFIEQGITVTRLSPEERAKLVERTRPVWDKFKDDIPAELIKLVQETQQ,posex_set/posex_self_docking_set/8TE9_8X3/8TE9_8X3_protein.pdb,posex_set/posex_self_docking_set/8TE9_8X3/8TE9_8X3_ligand_start_conf.sdf
8DHF_T6L,CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(F)cccc3Cl)cc2F)c1=O,GAMATGDERFYAEHLMPTLQGLLDPESAHRLAVRFTSLGLLPRARFQDSDMLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSVTPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVNLGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSLQGKAELRRLLTKVLQERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGFGGVTDAIGADHRR,posex_set/posex_self_docking_set/8DHF_T6L/8DHF_T6L_protein.pdb,posex_set/posex_self_docking_set/8DHF_T6L/8DHF_T6L_ligand_start_conf.sdf
8QN0_WJ5,Cc1ccc(S(=O)(=O)N2C[C@H]3CN(C(=O)NCc4ccc(Cl)cc4Cl)C[C@H]3C2)cc1,MGSSHHHHHHSSGLVPRGSHMASMLNTPAPLPTSCNPSDMSHGYVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCKEMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYPERVRAVASLNTPFIPANPNMSPLESIKANPVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMHKVCEAGGLFVNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACKSLGRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMDKPTEVNQILIKWLDSDARNPPVVSKMLLEHHHHHH,posex_set/posex_self_docking_set/8QN0_WJ5/8QN0_WJ5_protein.pdb,posex_set/posex_self_docking_set/8QN0_WJ5/8QN0_WJ5_ligand_start_conf.sdf
5SFB_IK0,CNC(=O)c1cc(CCc2nc(N3CCCC3)nn2C)nn2c(C)c(C)nc12,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_self_docking_set/5SFB_IK0/5SFB_IK0_protein.pdb,posex_set/posex_self_docking_set/5SFB_IK0/5SFB_IK0_ligand_start_conf.sdf
7SEZ_M7G,C[n+]1cn([C@@H]2O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21,MGITMDEEVIFETPRELISIKRIKDIPRSKDTHVFAACITSDGYPLIGARRTSFAFQAILSQQNSDSIFRVSTKLLRFMYYNELREIFRRLRKGSINNIDPHFEELILLGGKLDKKESIKDCLRRELKEESDERITVKEFGNVILKLTTRDKLFNKVYIGYCMACFINQSLEDLSHTSIYNVEIRKIKSLNDCINDDKYEYLSYIYNMLVNSKLEHHHHHH,posex_set/posex_self_docking_set/7SEZ_M7G/7SEZ_M7G_protein.pdb,posex_set/posex_self_docking_set/7SEZ_M7G/7SEZ_M7G_ligand_start_conf.sdf
8BJU_QT9,COc1ccccc1-n1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1,MKSRYTTEFHELEKIGSGEFGSVFKCVKRLDGCIYAIKRSKKPLAGSVDEQNALREVYAHAVLGQHSHVVRYFSAWAEDDHMLIQNEYCNGGSLADAISENYRIMSYFKEAELKDLLLQVGRGLRYIHSMSLVHMDIKPSNIFISRTSIPNAASEEGDEDDWASNKVMFKIGDLGHVTRISSPQVEEGDSRFLANEVLQENYTHLPKADIFALALTVVCAAGAEPLPRNGDQWHEIRQGRLPRIPQVLSQEFTELLKVMIHPDPERRPSAMALVKHSVLLSASRK,posex_set/posex_self_docking_set/8BJU_QT9/8BJU_QT9_protein.pdb,posex_set/posex_self_docking_set/8BJU_QT9/8BJU_QT9_ligand_start_conf.sdf
8BAJ_9QN,O=C1[C@@H]2CCC[C@H]([C@@H](CO)CN1Cc1ccccn1)N2S(=O)(=O)c1cc(Cl)cc(Cl)c1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNSKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_self_docking_set/8BAJ_9QN/8BAJ_9QN_protein.pdb,posex_set/posex_self_docking_set/8BAJ_9QN/8BAJ_9QN_ligand_start_conf.sdf
7FD6_4QU,Cc1cccn2c(=O)c3cc4c(=O)n(Cc5cccnc5)cnc4nc3nc12,AAPGKPTIAWGNTKFAIVEVDQAATAYNNLVKVKNAADVSVSWNLWNGDTGTTAKILLNGKEAWSGPSTGSSGTANFKVNKGGRYQMQVALCNADGCTASDATEIVVADTDGSHLAPLKEPLLEKNKPYKQNSGKVVGSYFVEWGVYGRNFTVDKIPAQNLTHLLYGFIPICGGNGINDSLKEIEGSFQALQRSCQGREDFKVSIHDPFAALQKAQKGVTAWDDPYKGNFGQLMALKQAHPDLKILPSIGGWTLSDPFFFMGDKVKRDRFVGSVKEFLQTWKFFDGVDIDWEFPGGKGANPNLGSPQDGETYVLLMKELRAMLDQLSAETGRKYELTSAISAGKDKIDKVAYNVAQNSMDHIFLMSYDFYGAFDLKNLGHQTALNAPAWKPDTAYTTVNGVNALLTQGVKPGKIVVGTAMYGRGWTGVNGYQNNIPFTGTATGPVKGTWENGIVDYRQIASQFMSGEWQYTYDATAEAPYVFKPSTGDLITFDDARSVQAKGKYVLDKQLGGLFSWEIDADNGDILNSMNASLGNSAGVQLEHHHHHH,posex_set/posex_self_docking_set/7FD6_4QU/7FD6_4QU_protein.pdb,posex_set/posex_self_docking_set/7FD6_4QU/7FD6_4QU_ligand_start_conf.sdf
7F9T_1XK,Cc1cc(N2CC[C@@](CO)(C3CC3)C2=O)cc(C(=O)NCc2cc(F)cc(-c3cnn(C)c3)c2)n1,GAMVTAKKDENFSEWYTQAIVRSEMIEYYDISGCYIMRPWAFHIWEKVQRFFDDEIKKMGVENSYFPMFVSRHKLEKEKDHVEGFSPEVAWVTHYGDSPLPEKIAIRPTSETIMYPAYAKWIRSHRDLPLKLNQWCSVVRWEFKQPTPFLRTREFLWQEGHTAHATEEEAWELVLDILELYRRWYEECLAVPVIKGEKSEGEKFAGGKKTTTVEAFIPENGRGIQAATSHLLGTNFAKMFEIEFEDEEGHKRLVHQTSWGCTTRSLGVMIMTHGDDKGLVIPPRVASVQVVIIPILFKDENTGEILGKCRELKTMLEKADIRVRIDDRSNYTPGWKYNHWEVKGVPLRLELGPKDLAKGTARVVRRDTGEAYQISWADLAPKLLELMEGIQRSLFEKAKARLHEGIEKISTFDEVMPALNRKHLVLAPWCEDPESEEQIKKETQKLSEIQAIEAGDSEQVMTGAMKTLCIPFDQPPMPEGTKCFYTGKPAKRWTLWGRSY,posex_set/posex_self_docking_set/7F9T_1XK/7F9T_1XK_protein.pdb,posex_set/posex_self_docking_set/7F9T_1XK/7F9T_1XK_ligand_start_conf.sdf
8D5I_POP,O=[P@]([O-])(O)O[P@](=O)([O-])O,MAKVKIVGILNVTPNSFHDGGRFVETDKAVVRARELLSQGADIIEIGGESTGPGSNTITADEELARIVPVIRAIRSSLPDANIAVDTYKAEVARKALELGATMINDVSAGRADPKLFGVVARSNAQIVLMYSKDTDPHTSFDERQYVDVVRTVYDFLAERKKAAMSAGIPADRIILDTGLGGFVSSDPQYSFQLLAHLSDFQDLGCKLFLSPSRKSFLAGNELLKTADRLPGTIAASAIAVLHGADYIRTHDVLEVRRGCEIATAINQPPER,posex_set/posex_self_docking_set/8D5I_POP/8D5I_POP_protein.pdb,posex_set/posex_self_docking_set/8D5I_POP/8D5I_POP_ligand_start_conf.sdf
7U0S_KXX,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,MSGSHHHHHHHHGGENLYFQGSGLNDIFEAQKIEWHEGSSGSSGVTKELKSPGNGVDFPKKGDFVTIHYTGRLTDGSKFDSSVDRNEPFQTQIGTGRVIKGWDEGVPQMSLGEKAVLTITPDYGYGARGFPGVIPGNSTLIFEVELLGINNKRA,posex_set/posex_self_docking_set/7U0S_KXX/7U0S_KXX_protein.pdb,posex_set/posex_self_docking_set/7U0S_KXX/7U0S_KXX_ligand_start_conf.sdf
8BSA_DAR,NC(=[NH2+])NCCC[C@@H](N)C(=O)O,GPLGSSELDKIQSELLNYTDDTLPAMENVDAIKDKMSYWRRTQFAVLPMKDEAQIRQTIERNNRVQAEINDSLVAYGKTVWPGEEEQTFKRLMGNWNAYTAVTDQFNQTLLTQGADDAYPILANSLSTFEALESDFTLLIGILHQAMDSNKVQILSSVKTLNSTSEFPGRLERPHRD,posex_set/posex_self_docking_set/8BSA_DAR/8BSA_DAR_protein.pdb,posex_set/posex_self_docking_set/8BSA_DAR/8BSA_DAR_ligand_start_conf.sdf
8PB4_XP6,NCCc1c[nH]c2cccc(OP(=O)(O)O)c12,GSHMASENLYFQGMHIRNPYRTPIDYQALSEAFPPLKPFVSVNADGTSSVDLTIPEAQRAFTAALLHRDFGLTMTIPEDRLCPTVPNRLNYVLWIEDIFNYTNKTLGLSDDRPIKGVDIGTGASAIYPMLACARFKAWSMVGTEVERKCIDTARLNVVANNLQDRLSILETSIDGPILVPIFEATEEYEYEFTMCNPPFYDGAADMQTSDAAKGFGFGVGAPHSGTVIEMSTEGGESAFVAQMVRESLKLRTRCRWYTSNLGKLKSLKEIVGLLKELEISNYAINEYVQGSTRRYAVAWSFTDIQLPEELSRPSNPELSSLF,posex_set/posex_self_docking_set/8PB4_XP6/8PB4_XP6_protein.pdb,posex_set/posex_self_docking_set/8PB4_XP6/8PB4_XP6_ligand_start_conf.sdf
7LVY_UDP,O=c1ccn([C@@H]2O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,MRGSHHHHHHGMASMTGGQQMGRDLYDDDDKDHPFMKIFFIPMDAFGHVNACIGLARMLSEFEHQCIFAVPKRWCKPIEEYNFKVEIVKDPTVPDDQDLQKKNGDFVNRYSHTLSKTPREQFIELLIPSINRDIHYAKIIDGQIPTILESIDPDLIIIDFYVTLPSVVNSGKPWIHLTSCNPLNLYAGPNVPPSCFGLSIDTDPDTVISYKQFIAESMKDVKSDFDEWLVSKGVKPEPFAISKSSPYLNVYSFPSDLDYSEFGPVPDKCFRLDHMVRLVQEDPLGFDEKFFDRPGKKILFSLGSMGAADVELMKRLVGILGKSKHLFIVSKGLFHDKYELPENMIGAKFLNQMAILPRVDLVIHHGGNNTFVESLYFGKPSIVLPLFGDQHDNGRRAEDKKIGRSFRPHHVTEDELLMAIDELLNDKELNNRVLKIGENIRNSKSIDDFNKKIEEIIKVHK,posex_set/posex_self_docking_set/7LVY_UDP/7LVY_UDP_protein.pdb,posex_set/posex_self_docking_set/7LVY_UDP/7LVY_UDP_ligand_start_conf.sdf
8UPI_SET,NC(=O)[C@@H](N)CO,GEDTIDPNAKQGGAITITYKDDVATLDPAIGYDWQNWSMIKSLFDGLMDYEPGTTNLKPDLAESYEISPDGKTFTFKLRHGVKFHNGREMTADDVKYSLDRVTNPKTQSPGAGFFGSIKGYDDVAAGKATSLSGVTVVDPYTVKFELTRPDATFLHVMAINFSHVVPKEEVEKYGADFGKHPVGTGAFKLAEWTLGQRIVFERNPDYWHKGLPHLDKITFEIGQEPIVALLRLQKGEIDVPGDGIPPAKFQEVMADPEQKARVVEGGQLHTGYVTMNTTMAPFDNVKVRQAVNMAINKARIIQIINGRAVPANQPLPPSMPGYDKEYKGYPYDVAKAKALLAEAGHPDGFETQLFAMNTDPNPRIAQAIQQDLAAIGIKASIQSLAQANVIAAGGDKAGAPMIWSGGMAWIADFPDPSNFYGPILGCAGAVPGGWNWSWYCNKDLDAKAAEADSVVDPAKGAERDKMWSAIYDKVMEDAPWAPVFNEQRFTMKSARMGGADNLYVDPVHIPINYDNVYVKDVQ,posex_set/posex_self_docking_set/8UPI_SET/8UPI_SET_protein.pdb,posex_set/posex_self_docking_set/8UPI_SET/8UPI_SET_ligand_start_conf.sdf
8OWZ_KZU,COCCn1cc(COc2cccc(Cc3cnc(NC(=O)CSc4nc(C)cc(C)n4)s3)c2)nn1,GHMERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGLYDNLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQS,posex_set/posex_self_docking_set/8OWZ_KZU/8OWZ_KZU_protein.pdb,posex_set/posex_self_docking_set/8OWZ_KZU/8OWZ_KZU_ligand_start_conf.sdf
7NLV_UJE,O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N[C@H]1CCNC1,MAEAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVKPSAAS,posex_set/posex_self_docking_set/7NLV_UJE/7NLV_UJE_protein.pdb,posex_set/posex_self_docking_set/7NLV_UJE/7NLV_UJE_ligand_start_conf.sdf
7YV4_JXY,Cc1c(O)c(C)c2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2,MEGQRWLPLEANPEVTNQFLKQLGLHPNWQFVDVYGMDPELLSMVPRPVCAVLLLFPITEKYEVFRTEEEEKIKSQGQDVTSSVYFMKQTISNACGTIGLIHAIANNKDKMHFESGSTLKKFLEESVSMSPEERARYLENYDAIRVTHETSAHEGQTEAPSIDEKVDLHFIALVHVDGHLYELDGRKPFPINHGETSDETLLEDAIEVCKKFMERDPDELRFNAIALSAA,posex_set/posex_self_docking_set/7YV4_JXY/7YV4_JXY_protein.pdb,posex_set/posex_self_docking_set/7YV4_JXY/7YV4_JXY_ligand_start_conf.sdf
8B5Y_P8O,N[C@@H]1c2ccccc2CC12CCN(c1nc3ncc(Sc4cccnc4C(F)(F)F)nc3[nH]1)CC2,GMTSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGAVTHIKIQNTGDYYDLYGGEKFATLAELVQYYMEHHGQLKEKNGDVIELKYPLNCADPTSERWFHGHLSGKEAEKLLTEKGKHGSFLVRESQSHPGDFVLSVRTGDDKGESNDGKSKVTHVMIRCQELKYDVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPLNTTRINAAEIESRVRELSKLAETTDKVKQGFWEEFETLQQQECKLLYSRKEGQRQENKNKNRYKNILPFDHTRVVLHDGDPNEPVSDYINANIIMPEFETKCNNSKPKKSYIATQGCLQNTVNDFWRMVFQENSRVIVMTTKEVERGKSKCVKYWPDEYALKEYGVMRVRNVKESAAHDYTLRELKLSKVGQGNTERTVWQYHFRTWPDHGVPSDPGGVLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIREKGVDCDIDVPKTIQMVRSQRSGMVQTEAQYRFIYMAVQHYIETL,posex_set/posex_self_docking_set/8B5Y_P8O/8B5Y_P8O_protein.pdb,posex_set/posex_self_docking_set/8B5Y_P8O/8B5Y_P8O_ligand_start_conf.sdf
7T08_XO1,CCCC[C@H]1CN(c2cccc(OC(F)(F)F)c2)C(=O)CN1Cc1cncn1Cc1ccc(C#N)c(F)c1,MGSSHHHHHHSQDLMVTSTYIPMSQRRSWADVKPIMQDDGPNPVVPIMYSEEYKDAMDYFRAIAAKEEKSERALELTEIIVRMNPAHYTVWQYRFSLLTSLNKSLEDELRLMNEFAVQNLKSYQVWHHRLLLLDRISPQDPVSEIEYIHGSLLPDPKNYHTWAYLHWLYSHFSTLGRISEAQWGSELDWCNEMLRVDGRNNSAWGWRWYLRVSRPGAETSSRSLQDELIYILKSIHLIPHNVSAWNYLRGFLKHFSLPLVPILPAILPYTASKLNPDIETVEAFGFPMPSDPLPEDTPLPVPLALEYLADSFIEQNRVDDAAKVFEKLSSEYDQMRAGYWEFRRRECAE|MATEFTPSVYSLVSKPLPSNSRPSATLDEQAETEDLISQLFDLTADPNALVSEHGKRYSGLRKQEHTQFLASSFFQLPGKFVSLDASRPWLVFWTVHSLDLLGVALDQGTKDRVVSTLLHFLSPKGGFGGGPANSQIPHLLPTYASVCSLAIAGNDSSTGGWKDLAAARQSIYEFFMRCKRPDGGFVVCEGGEVDVRGTYCLLVVATLLDIITPELLHNVDKFVSACQTYEGGFACASFPFPSVVPSTSAFPTSEPSCRVSMAEAHGGYTSCSLNSHFLLTSVPLPSFPLSIDANAALRWTVLQQGEPIEGGGFRGRTNKLVDGCYSWWVGGGAPVAEELVRREKSRKVKKSRIEVFEEEKEGDWEDVPPIPPIFNRVALQEFTLVAAQQDPGSTGGLRDKPGKRPDQYHTCNNLSGLSIAQHKMSHSPSTVSSNRLKFDASKGLPAVKPVAPGGGWKNEDERQNARREIWANALGWIEEEGGEIIVGGKDNRINTTTPVFNILGLRLKPFINYFYCQEN,posex_set/posex_self_docking_set/7T08_XO1/7T08_XO1_protein.pdb,posex_set/posex_self_docking_set/7T08_XO1/7T08_XO1_ligand_start_conf.sdf
7TN4_ZM2,O=P(O)(O)O[C@@H]1[C@@H](O[P@@](=O)(O)OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1OP(=O)(O)O,MMKLKSNQTRTYDGDGYKKRAACLCFRSESEEEVLLVSSSRHPDRWIVPGGGMEPEEEPSVAAVREVCEEAGVKGTLGRLVGIFENQERKHRTYVYVLIVTEVLEDWEDSVNIGRKREWFKIEDAIKVLQYHKPVQASYFETLRQGYSANNGTPVVATTYSVSAQSSMSGIR,posex_set/posex_self_docking_set/7TN4_ZM2/7TN4_ZM2_protein.pdb,posex_set/posex_self_docking_set/7TN4_ZM2/7TN4_ZM2_ligand_start_conf.sdf
7NZT_V14,NS(=O)(=O)c1c(F)c(F)c(S(=O)(=O)CCO)c(NC2CCCCCCC2)c1F,MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNTGYLFQVEFDDSQDKAVLKGGPLDGTYRLKQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDYGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLTECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK,posex_set/posex_self_docking_set/7NZT_V14/7NZT_V14_protein.pdb,posex_set/posex_self_docking_set/7NZT_V14/7NZT_V14_ligand_start_conf.sdf
9J6N_A1L3Z,OC[C@@H](O)[C@@H]1NC[C@H](O)[C@H]1O,MGSSHHHHHHSAALEVLFQGPAPRAWTPKPSPMTTPWTDQVPVDNPLPEYPRPQLTRPDWANLNGIWDFAVTSANAGQPATFPEQIRVPFVAESALSGIQRKITQNDKLWYKRTFTVPSNWNGRRVQLNFGASDWRTTVWVNGRQAGAVHSGGYDAFSYDVTDLLTAGTNTLVVSVWDPTETGTQAVGKQRIRDVAPHPGGGILYTAASGIWQTVWLEPTAAAHVTRLDLVPDPANSRLKVTVRGAGISGHQARVTVSTGGTTVGTATGPVGTEFTVPVPNPRLWTPEDPFLYDVRADPLSGGTTVDSVGSYTGMRTIALASVGGHQRPVLNGKFVFQTGTLDQGYWPDGIYTAPTDAALRHDLQKHKDLGFNMVRKHIKVEPQRWFYWADRLGLLVWQDMPNMERTPDAAARTQWEAEYDRIIDQHRSSPSLVLWVNQNEGWGQYDQARLADKVKAYDPTRLVDNMSGVNCCGAVDGGNGDVVDHHVYVGPGTTVPSATRAAVLGEFGGLGFKVAGHEWYPGGGFSYEDQPDLAHLNNRFVGLIDAIREVRMPRGLSASVYTEITDVENEVNGLLTYDRQVVKVDEARVRAANRALIDASRGTTAPLTLPV,posex_set/posex_self_docking_set/9J6N_A1L3Z/9J6N_A1L3Z_protein.pdb,posex_set/posex_self_docking_set/9J6N_A1L3Z/9J6N_A1L3Z_ligand_start_conf.sdf
7FSO_DGL,N[C@H](CCC(=O)O)C(=O)O,SMAEIKQGIREVILCKDQDGKIGLRLKSIDNGIFVQLVQANSPASLVGLRFGDQVLQINGENCAGWSSDKAHKVLKQAFGEKITMTIRDRPFERTITMHKDSTGHVGFIFKNGKITSIVKDSSAARNGLLTEHNICEINGQNVIGLKDSQIADILSTSGTVVTITIMPAFIFEHIIKRMAPSIMKSLMDHTIPEV,posex_set/posex_self_docking_set/7FSO_DGL/7FSO_DGL_protein.pdb,posex_set/posex_self_docking_set/7FSO_DGL/7FSO_DGL_ligand_start_conf.sdf
9BC9_A1APK,COCOc1ccc(-c2nc(CC(=O)NCC(=O)O)cs2)c(Cl)c1,GSPAFESYESMELACPAERSGHVAVSDGRHMFVWGGYKSNQVRGLYDFYLPREELWIYNMETGRWKKINTEGDVPPSMSGSCAVCVDRVLYLFGGHHSRGNTNKFYMLDSRSTDRVLQWERIDCQGIPPSSKDKLGVWVYKNKLIFFGGYGYLPEDKVLGTFEFDETSFWNSSHPRGWNDHVHILDTETFTWSQPITTGKAPSPRAAHACATVGNRGFVFGGRYRDARMNDLHYLNLDTWEWNELIPQGICPVGRSWHSLTPVSSDHLFLFGGFTTDKQPLSDAWTYCISKNEWIQFNHPYTEKPRLWHTACASDEGEVIVFGGCANNLLVHHRAAHSNEILIFSVQP,posex_set/posex_self_docking_set/9BC9_A1APK/9BC9_A1APK_protein.pdb,posex_set/posex_self_docking_set/9BC9_A1APK/9BC9_A1APK_ligand_start_conf.sdf
8FH5_XXQ,O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2nccnc12,ASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKPAVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKHNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCALLSCTSHKDYPFHEEF,posex_set/posex_self_docking_set/8FH5_XXQ/8FH5_XXQ_protein.pdb,posex_set/posex_self_docking_set/8FH5_XXQ/8FH5_XXQ_ligand_start_conf.sdf
8RRQ_A1H2W,Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@H]4CCCC[C@H]4N)n(C)n3)n2)c1,GPEEIRPKEVYLDRKLLTLEDKELGSGNFGTVKKGYYQMKKVVKTVAVKILKNEANDPALKDELLAEANVMQQLDNPYIVRMIGICEAESWMLVMEMAELGPLNKYLQQNRHVKDKNIIELVHQVSMGMKYLEESNFVHRDLAARNVLLVTQHYAKISDFGLSKALRADENYYKAQTHGKWPVKWYAPECINYYKFSSKSDVWSFGVLMWEAFSYGQKPYRGMKGSEVTAMLEKGERMGCPAGCPREMYDLMNLCWTYDVENRPGFAAVELRLRNYYYDVVN,posex_set/posex_self_docking_set/8RRQ_A1H2W/8RRQ_A1H2W_protein.pdb,posex_set/posex_self_docking_set/8RRQ_A1H2W/8RRQ_A1H2W_ligand_start_conf.sdf
7TSB_K9C,CNCC#Cc1cc(C)cc(N)n1,CPRFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPSQHTRKPEDVATKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQQGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYNILEEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQPDPWNTHVWKL,posex_set/posex_self_docking_set/7TSB_K9C/7TSB_K9C_protein.pdb,posex_set/posex_self_docking_set/7TSB_K9C/7TSB_K9C_ligand_start_conf.sdf
7XH6_JHL,CO[C@H]1CC[C@H](n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1,MKKGHHHHHHLVPRGSRKKIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDIVKNPMDLSTIKRKLDTGQYQEPWQYVDDVWLMFNNAWLYNRKTSRVYKFCSKLAEVFEQEIDPVMQSLG,posex_set/posex_self_docking_set/7XH6_JHL/7XH6_JHL_protein.pdb,posex_set/posex_self_docking_set/7XH6_JHL/7XH6_JHL_ligand_start_conf.sdf
7OZ8_NGS,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)O)O[C@H]1O,MGSSHHHHHHSSGLVPRGSHMASQKQPHIILIMTDQQRGDAMGCMGNESLISPHLDALASEGTLFMNGYSSCPSSTPARAGLLTGQSPWHHGLLGYGKVAPKYNHEMPQMLKDAGYYTFGIGKMHWHPQRIKHGFEGTLLDESGRREDPNFISDYRLWFQIQAPGKNPDETGIGWNDHGAATYKLKESLHPTYWTGEMACQMIQNYDNGNQPLFLKVSFARPHSPYDPPQRFLDMYKDAQVPDPVIGEWCGKYAKELDPEKAAKDAPYGNFGNEYARHSKRYYYANITFIDEQIGRVLQTLKDKGMYDNSLIIFVSDHGDMMGDHYHWRKTYPYEGSTHIPYIIKWPAKAQVVPGKVDNPVELRDLLPTFFEIAGTSVPTDIDGRSLLSLAKGTETEWRKYIDLEHATCYSDDNYWCALTDGKIKYIWYFYTGEEQLFDLAKDPKELHNAVNDKKYKKLLTGMRAEMIRHLSERGEEFVKDGQLVVRKKTMLYGPNYPKEKR,posex_set/posex_self_docking_set/7OZ8_NGS/7OZ8_NGS_protein.pdb,posex_set/posex_self_docking_set/7OZ8_NGS/7OZ8_NGS_ligand_start_conf.sdf
8YZA_GUN,Nc1nc2[nH]cnc2c(=O)[nH]1,MTTTAQRDPVLPGTAHHPPLPDFPLSRRGDILPAEAERLRAEQPVARVRTMTGDEAWLVSSYELAKQVLEDDRFSLKDTANPGVPRQYALTIPPEVVNNMGNINSAGLRNAVMKTLSPQADRELGGWLEAQAHQLLDRLIEQGPPADLRDGFTEPYSAALHCRLLGIPTDDWRRLMSGIDVAFITSPRTFEGSAVNWYKDLGYMVDRLNADPEPTEGLLGRFAELRRSPDVSDQVSDELLATVALSLFGAGAVSTSAFLQHAIIALAQQPELADRLRAEPAVIGRAVDELLRYNLSIGDALPRIALADVRLGEVEIRAGELVLVLIEGANYDPAVFPHPERIDFDRESNPHLAFGGGQHFCPASALGRTHAEIALTALVEKLPALRLALPVEQLAWRPGFIKRLPERLPVLW,posex_set/posex_self_docking_set/8YZA_GUN/8YZA_GUN_protein.pdb,posex_set/posex_self_docking_set/8YZA_GUN/8YZA_GUN_ligand_start_conf.sdf
8OMJ_VTM,CSc1ccc(CO[P@@](C)(=O)O)cc1Nc1nc(N2C[C@H]3CNC[C@H]3C2)cc(C(F)(F)F)c1C#N,MGSSHHHHHHSSGLVPRGSQILCVGLVVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTVLSLLGAPCAFMGSMAPGHVADFLVADFRRRGVDVSQVAWQSKGDTPSSCCIINNSNGNRTIVLHDTSLPDVSATDFEKVDLTQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELFQLFGYGDVVFVSKDVAKHLGFQSAEEALRGLYGRVRKGAVLVCAWAEEGADALGPDGKLLHSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGIV,posex_set/posex_self_docking_set/8OMJ_VTM/8OMJ_VTM_protein.pdb,posex_set/posex_self_docking_set/8OMJ_VTM/8OMJ_VTM_ligand_start_conf.sdf
7LDY_DJR,COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_self_docking_set/7LDY_DJR/7LDY_DJR_protein.pdb,posex_set/posex_self_docking_set/7LDY_DJR/7LDY_DJR_ligand_start_conf.sdf
7Q5I_I0F,CN(C)c1ccc(/C=C(\C#N)C(=O)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,MSRPLSDQEKRKQISVRGLAGVENVTELKKNFNRHLHFTLVKDRNVATPRDYYFALAHTVRDHLVGRWIRTQQHYYEKDPKRIYYLSLEFYMGRTLQNTMVNLALENACDEATYQLGLDMEELEEIEEDAGLGNGGLGRLAACFLDSMATLGLAAYGYGIRYEFGIFNQKICGGWQMEEADDWLRYGNPWEKARPEFTLPVHFYGRVEHTSQGAKWVDTQVVLAMPYDTPVPGYRNNVVNTMRLWSAKAPNDFNLKDFNVGGYIQAVLDRNLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDIIRRFKSSKFGCRDPVRTNFDAFPDKVAIQLNDTHPSLAIPELMRVLVDLERLDWDKAWEVTVKTCAYTNHTVLPEALERWPVHLLETLLPRHLQIIYEINQRFLNRVAAAFPGDVDRLRRMSLVEEGAVKRINMAHLCIAGSHAVNGVARIHSEILKKTIFKDFYELEPHKFQNKTNGITPRRWLVLCNPGLAEIIAERIGEEYISDLDQLRKLLSYVDDEAFIRDVAKVKQENKLKFAAYLEREYKVHINPNSLFDVQVKRIHEYKRQLLNCLHVITLYNRIKKEPNKFVVPRTVMIGGKAAPGYHMAKMIIKLITAIGDVVNHDPVVGDRLRVIFLENYRVSLAEKVIPAADLSEQISTAGTEASGTGNMKFMLNGALTIGTMDGANVEMAEEAGEENFFIFGMRVEDVDRLDQRGYNAQEYYDRIPELRQIIEQLSSGFFSPKQPDLFKDIVNMLMHHDRFKVFADYEEYVKCQERVSALYKNPREWTRMVIRNIATSGKFSSDRTIAQYAREIWGVEPSRQRLPAPDEKIP,posex_set/posex_self_docking_set/7Q5I_I0F/7Q5I_I0F_protein.pdb,posex_set/posex_self_docking_set/7Q5I_I0F/7Q5I_I0F_ligand_start_conf.sdf
8RV7_A1H3E,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCc2cc(/C=C/CO)cc(C(=O)O)c2)[C@@H](O)[C@H]1O,GSMASSQAWQPGVAMPNLYKMQRMLLEKCDLQNYGDSATLPKGIMMNVAKYTQLCQYLNTLTLAVPYNMRVIHFGAGSDKGVAPGTAVLRQWLPTGTLLVDSDLNDFVSDADSTLIGDCATVHTANKWDLIISDMYDPKTKNVTKENDSKEGFFTYICGFIQQKLALGGSVAIKITEHSWNADLYKLMGHFAWWTAFVTNVNASSSEAFLIGCNYLGKPREQIDGYVMHANYIFWRNTNPIQLSSYSLFDMSKFPLKLRGTAVMSLKEGQINDMILSLLSKGRLIIRENNRVVISSDVLVNN|GSMAGNATEVPANSTVLSFCAFAVDAAKAYKDYLASGGQPITNCVKMLCTHTGTGQAITVTPEANMDQESFGGASCCLYCRCHIDHPNPKGFCDLKGKYVQIPTTCANDPVGFTLKNTVCTVCGMWKGYGCSCDQLREPMLQ,posex_set/posex_self_docking_set/8RV7_A1H3E/8RV7_A1H3E_protein.pdb,posex_set/posex_self_docking_set/8RV7_A1H3E/8RV7_A1H3E_ligand_start_conf.sdf
7VLP_4WI,CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C=N)C[C@@H]1CCNC1=O)C2(C)C,GFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_self_docking_set/7VLP_4WI/7VLP_4WI_protein.pdb,posex_set/posex_self_docking_set/7VLP_4WI/7VLP_4WI_ligand_start_conf.sdf
7WCF_ACP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O,NLYFQSNAMKHCPITYEKISDQENYSQRGLHLLSPQLKNLSPLDLSADEQRQEAIARVGKMSVQGVQKKLSAKLKIKEGCFEIVDQYGQYILKPQSDIYPELPENEAITMTLAKTIGLEVPVHGLVYSKDNSLTYFIKRFDRIGHNKKLALEDFAQLSGEDRHTKYKSSMEKVIAVIEQFCTFPKIEFVKLFKLTLFNFLVGNEEMHLKNFSLITKDRKISISPAYDLLNSTIAQKNTKEELALPLKGKKNNLTKSDFLKYFAIEKLGLNQNVIDGIVQEFHQVIPKWQELIGFSFLSQEMQEKYLELLEQRCKRLNFFD,posex_set/posex_self_docking_set/7WCF_ACP/7WCF_ACP_protein.pdb,posex_set/posex_self_docking_set/7WCF_ACP/7WCF_ACP_ligand_start_conf.sdf
8AK6_08D,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,GIDPFTADKGKCGLPEIFDPPEELERKVWELARLVWQSSSVVFHTGAGISTASGIPDFRGPHGVWTMEERGLAPKFDTTFESARPTQTHMALVQLERVGLLRFLVSQNVDGLHVRSGFPRDKLAELHGNMFVEECAKCKTQYVRDTVVGTMGLKATGRLCTVAKARGLRACRGELRDTILDWEDSLPDRDLALADEASRNADLSITLGTSLQIRPSGNLPLATKRRGGRLVIVNLQPTKHDRHADLRIHGYVDEVMTRLMKHLGLEIPAWDGPRVLERALPPLPRPPTPKLEPKEESPTRIN,posex_set/posex_self_docking_set/8AK6_08D/8AK6_08D_protein.pdb,posex_set/posex_self_docking_set/8AK6_08D/8AK6_08D_ligand_start_conf.sdf
7QHL_D5P,NCCSc1nc(NCc2ccc(-n3cccn3)cc2)c2[nH]nc(C3CCC3)c2n1,SMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL|VPDYHEDIHTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYIDRFLSSMSVLRGKLQLVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRMEHLVLKVLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAMFLGELSLIDADPYLKYLPSVIAGAAFHLALYTVTGQSWPESLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYKNSKYHGVSLLNPPETLNL,posex_set/posex_self_docking_set/7QHL_D5P/7QHL_D5P_protein.pdb,posex_set/posex_self_docking_set/7QHL_D5P/7QHL_D5P_ligand_start_conf.sdf
7U9Y_M4U,COc1cc(CN2CCc3c(cc(Cn4ccnc4C)cc3-c3cn(C)nc3C(F)(F)F)C2=O)cc(OC)c1,PVKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFNRDGSLIVSSSYDGLCRIWDTASGQCLKTLIDDDNPPVSFVKFSPNGKYILAATLDNTLKLWDYSKGKCLKTYTGHKNEKYCIFANFSVTGGKWIVSGSEDNLVYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKLWKSDC,posex_set/posex_self_docking_set/7U9Y_M4U/7U9Y_M4U_protein.pdb,posex_set/posex_self_docking_set/7U9Y_M4U/7U9Y_M4U_ligand_start_conf.sdf
7BO2_U62,O=C(O)c1cc2c(s1)-c1ccccc1OC2,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTHHHHHH,posex_set/posex_self_docking_set/7BO2_U62/7BO2_U62_protein.pdb,posex_set/posex_self_docking_set/7BO2_U62/7BO2_U62_ligand_start_conf.sdf
7ZZO_KZF,O=S(=O)([O-])CC[NH2+]C1CCCCC1,MAYSQGGGKKKVCYYYDGDIGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKATAEEMTKYHSDEYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVAGAVKLNRQQTDMAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNFPMRDGIDDESYGQIFKPIISKVMEMYQPSAVVLQCGADSLSGDRLGCFNLTVKGHAKCVEVVKTFNLPLLMLGGGGYTIRNVARCWTYETAVALDCEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTPEYMEKIKQRLFENLRMLPHAPGVQMQAIPEDAVHEDSGDEDGEDPDKRISIRASDKRIACDEEFSDSEDEGEGGRRNVADHKKGAKKARIEEDKKETEDKKTDVKEEDKSKDNSGEKTDTKGTKSEQLSNPGSSGHHHHHH,posex_set/posex_self_docking_set/7ZZO_KZF/7ZZO_KZF_protein.pdb,posex_set/posex_self_docking_set/7ZZO_KZF/7ZZO_KZF_ligand_start_conf.sdf
7HG0_A1A3P,CC(=O)c1ccc(NC(=O)CN2CCCC2)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_self_docking_set/7HG0_A1A3P/7HG0_A1A3P_protein.pdb,posex_set/posex_self_docking_set/7HG0_A1A3P/7HG0_A1A3P_ligand_start_conf.sdf
8QFW_UK9,O=c1cc(-c2ccccc2)oc2c(O)c(O)ccc12,GMARCERLRGAALRDVLGQAQGVLFDCDGVLWNGERIVPGAPELLQRLARAGKNTLFVSNNSRRARPELALRFARLGFAGLRAEQLFSSALCAARLLRQRLSGPPDASGAVFVLGGEGLRAELRAAGLRLAGDPGEDPRVRAVLVGYDEQFSFSRLTEACAHLRDPDCLLVATDRDPWHPLSDGSRTPGTGSLAAAVETASGRQALVVGKPSPYMFQCITEDFSVDPARTLMVGDRLETDILFGHRCGMTTVLTLTGVSSLEEAQAYLTAGQRDLVPHYYVESIADLMEGLEE,posex_set/posex_self_docking_set/8QFW_UK9/8QFW_UK9_protein.pdb,posex_set/posex_self_docking_set/8QFW_UK9/8QFW_UK9_ligand_start_conf.sdf
8PUP_H2I,O=C(NCc1ccc(O)cc1)c1cc(O)c(=O)c2c(O)c(O)ccc2c1,SGSGSGSGSMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVCFMYSDGGSKHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFIEIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEESRARIKTRLFTIRQEMASRSLWDSFRQSER,posex_set/posex_self_docking_set/8PUP_H2I/8PUP_H2I_protein.pdb,posex_set/posex_self_docking_set/8PUP_H2I/8PUP_H2I_ligand_start_conf.sdf
7WMT_1IV,Cc1ccc2c(c1)cc([C@H]1C[C@H](n3ccnc3CN)CN1C(=O)c1cnc3[nH]ccc3c1)n2Cc1ccc(Cl)cc1,GSGFTSKDTYLSHFNPRDYLEKYYKFGSRHSAESQILKHLLKNLFKIFCLDGVKGDLLIDIGSGPTIYQLLSACESFKEIVVTDYSDQNLQELEKWLKKEPAAFDWSPVVTYVCDLEGNRVKGPEKEEKLRQAVKQVLKCDVTQSQPLGAVPLPPADCVLSTLCLDAACPDLPTYCRALRNLGSLLKPGGFLVIMDALKGGGGREAVEAAVKEAGYTIEWFEVISQSYSSTMANNEGLFSLVARKLSRPL,posex_set/posex_self_docking_set/7WMT_1IV/7WMT_1IV_protein.pdb,posex_set/posex_self_docking_set/7WMT_1IV/7WMT_1IV_ligand_start_conf.sdf
7QF4_RBF,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C,MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETDQATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLALDSTRTGHHHHHH,posex_set/posex_self_docking_set/7QF4_RBF/7QF4_RBF_protein.pdb,posex_set/posex_self_docking_set/7QF4_RBF/7QF4_RBF_ligand_start_conf.sdf
8CLU_V0F,C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)N1,MAEEGTRSEAADAATQARQLPDSRNIFVSHRFPERQVDLGEVVMNFAEAGSPDNPALLLLPEQTGSWWSYEPVMGLLAENFHVFAVDIRGQGRSTWTPRRYSLDNFGNDLVRFIALVIKRPVVVAGNSSGGLLAAWLSAYAMPGQIRAALCEDAPFFASELVPAYGHSVLQAAGPAFELYRDFLGDQWSIGDWKGFVEAAKASPAKAMQLFPTPDEAPQNLKEYDPEWGRAFFEGTVALHCPHDRMLSQVKTPILITHHARTIDPETGELLGALSDLQAEHAQDIIRSAGVRVDYQSHPDALHMMHLFDPARYAEILTSWSATLPANDHHHHHH,posex_set/posex_self_docking_set/8CLU_V0F/8CLU_V0F_protein.pdb,posex_set/posex_self_docking_set/8CLU_V0F/8CLU_V0F_ligand_start_conf.sdf
7ZTL_BCN,O=C(O)CN(CCO)CCO,MKHHHHHHPMSDYDIPTTENLYFQGAMESKKRQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGELKIADFGWSVHAPSSRRTTLAGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYCRISRVEFTFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSSKPSNAQNKESASKQS|FYPDEDDFYFGGPDSTPPGEDIWKKFELLPTPPLSPSRGFAEHSSEPPSWVTEMLLEKELWG,posex_set/posex_self_docking_set/7ZTL_BCN/7ZTL_BCN_protein.pdb,posex_set/posex_self_docking_set/7ZTL_BCN/7ZTL_BCN_ligand_start_conf.sdf
7DUX_HLF,C=CCCn1ccnc1C(=O)O,EYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNR,posex_set/posex_self_docking_set/7DUX_HLF/7DUX_HLF_protein.pdb,posex_set/posex_self_docking_set/7DUX_HLF/7DUX_HLF_ligand_start_conf.sdf
7MSR_DCA,CCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,MSYTASRQHLYVDKNTKIICQGFTGKQGTFHSQQALEYGTKLVGGTTPGKGGQTHLGLPVFNTVKEAKEQTGATASVIYVPPPFAAAAINEAIEAEIPLVVCITQGIPQQDMVRVKHKLLRQEKTRLIGPNCPGVINPGECKIGIMPGHIHKKGRIGIVSRSGTLTYEAVHQTTQVGLGQSLCVGIGGDPFNGTDFIDCLEIFLNDSATEGIILIGEIGGNAEENAAEFLKQHNSGPNSKPVVSFIAGLTAPPGRRMGHAGAIIAGGKGGAKEKISALQSAGVVVSMSPAQLGTTIYKEFEKRKMLEHHHHHHHH|MNLQEYQSKKLMSDNGVRVQRFFVADTANEALEAAKRLNAKEIVLKAQILAGGRGKGVFNSGLKGGVHLTKDPNVVGQLAKQMIGYNLATKQTPKEGVKVNKVMVAEALDISRETYLAILMDRSCNGPVLVGSPQGGVDIEEVAASNPELIFKEQIDIFEGIKDSQAQRMAENLGFVGPLKSQAADQITKLYNLFLKIDATQVEVNPFGETPEGQVVCFDAKINFDDNAEFRQKDIFAMDDKSENEPIENEAAKYDLKYIGLDGNIACFVNGAGLAMATCDIIFLNGGKPANFLDLGGGVKEAQVYQAFKLLTADPKVEAILVNIFGGIVNCAIIANGITKACRELELKVPLVVRLEGTNVQEAQKILNNSGLPITSAIDLEDAAKKAVASVAKK,posex_set/posex_self_docking_set/7MSR_DCA/7MSR_DCA_protein.pdb,posex_set/posex_self_docking_set/7MSR_DCA/7MSR_DCA_ligand_start_conf.sdf
7RKR_L49,O=C(O[C@H](Cn1ccnc1)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1,MAKKTSSKGKLPPRVPNLIPYVGSFVSFAKNPVQFIIDNSKKYGDVFTATILGKEMTFLNHPKILDTFFKATDNELSLRDVYRFMRPVFGTGVVYDADSTERMMEQVKFVSSGLTTARFRVFVDIFEDEIAHKVKELGPEGTVDVAELMADLIIFTASRCLLGDEVRQYLSEKNLGKLYHDIDDGISPLSFFYPSLPAPKRDKARKAVGEIFQELLDKRREEHKKHPERLLDESKMDVVDHLLTQKYKDGQELTDVHRIGILIAGLFAGQHTSSITSSWTLMNVISNKKVLEKVRKEQEEIMGSDKVLDYDKVMKMDYLEACMKEALRMYPPLIMIMRMARKPRECEQYIIPKGNILVVSPSVAGRCTDTYTNPDVFDPERLTERKEHEKFKYGAVPFGAGRHKCIGENFALLQVKSIISILLRYFDMEYIGKIPDPSYTSLVVGPSPPTRMRYKLRKQQHHHHHH,posex_set/posex_self_docking_set/7RKR_L49/7RKR_L49_protein.pdb,posex_set/posex_self_docking_set/7RKR_L49/7RKR_L49_ligand_start_conf.sdf
8QBU_42J,NCCc1ccc(Cl)c(Cl)c1,MGSSHHHHHHSQDPMPGPAAGSRARVYAEVNSLRSREYWDYEAHVPSWGNQDDYQLVRKLGRGKYSEVFEAINITNNERVVVKILKPVKKKKIKREVKILENLRGGTNIIKLIDTVKDPVSKTPALVFEYINNTDFKQLYQILTDFDIRFYMYELLKALDYCHSKGIMHRDVKPHNVMIDHQQKKLRLIDWGLAEFYHPAQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRREPFFHGQDNYDQLVRIAKVLGTEELYGYLKKYHIDLDPHFNDILGQHSRKRWENFIHSENRHLVSPEALDLLDKLLRYDHQQRLTAKEAMEHPYFYPVVKEQSQPSADNAVLSSGLTAAR,posex_set/posex_self_docking_set/8QBU_42J/8QBU_42J_protein.pdb,posex_set/posex_self_docking_set/8QBU_42J/8QBU_42J_ligand_start_conf.sdf
8X1A_G6P,O=P(O)(O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,SHMEGRLVVYCSATNAMCEAGTKAFAEKYNVNTSFVRNGSGSTLAKIDAEKNNPRADVWYGGTLDPQSQAGEMDLLQAYQSPELANIMEGFRDPAKRKGNYSSAVYMGILGFGVNTERLAQKGIPIPRCWADLTKPEYKGEIQISDPQSSGTAYTALATFIQLWDEPTAFEYFKKLDKNVSQYTKSGVTPSRNSARGEVAIGIGFLHDYSLEQAKGAPLELISPCEGTGYELGGVSIIKGARNLDNAKLFVDWVLSKEGQEVAWKQGDSYQILTNTQAEQSPNALDPKTLKLINYDMETYGSSDERKRLITKWVNEIKMGN,posex_set/posex_self_docking_set/8X1A_G6P/8X1A_G6P_protein.pdb,posex_set/posex_self_docking_set/8X1A_G6P/8X1A_G6P_ligand_start_conf.sdf
9FR2_A1IE9,O=S(=O)(F)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1,SMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_self_docking_set/9FR2_A1IE9/9FR2_A1IE9_protein.pdb,posex_set/posex_self_docking_set/9FR2_A1IE9/9FR2_A1IE9_ligand_start_conf.sdf
8PA6_XKB,Nc1nc2c(ncn2[C@@H]2O[C@H](COC(=O)NCCc3c[nH]c4ccccc34)[C@@H](O)[C@H]2O)c2nccn12,MADEIAKAQVARPGGDTIFGKIIRKEIPAKIIFEDDRCLAFHDISPQAPTHFLVIPKKHISQISVAEDDDESLLGHLMIVGKKCAADLGLNKGYRMVVNEGSDGGQSVYHVHLHVLGGRQMHWPPG,posex_set/posex_self_docking_set/8PA6_XKB/8PA6_XKB_protein.pdb,posex_set/posex_self_docking_set/8PA6_XKB/8PA6_XKB_ligand_start_conf.sdf
8JKR_U5P,O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,MSYQDYINCSREALLEKMAELLPEKRLTHCLGVERAAMELAQRFGVDVEKASLAGLLHDYAKKLSDQEFLVLIDRYQLDPDLKNWGNNVWHGMVGIYKIQEDLDLHDSEILRAIEIHTVGAGQMTDLDKVIYVADYIEHNRAFPGVDVAREIASLSLNKAVAYETARTVEYLAHQGFPIYPQTLETYNAFVHYLKEDLEENLYFQGHHHHHHHHHH,posex_set/posex_self_docking_set/8JKR_U5P/8JKR_U5P_protein.pdb,posex_set/posex_self_docking_set/8JKR_U5P/8JKR_U5P_ligand_start_conf.sdf
7SLZ_9QU,O=C(CNCc1cc2ccccc2[nH]1)N[C@H]1CC[C@@H](c2nc3ccccc3[nH]2)CC1,GSGSKFRGHQKSKGNSYDVEVVLQHVDTGNSYLCGYLKIKGLTEEYPTLTTFFEGEIISKKHPFLTRKWDADEDVDRKHWGKFLAFYQYAKSFNSDDFDYEELKNGDYVFMRWKEQFLVPDHTIKDISGASFAGFYYICFQKSAASIEGYYYHRSSEWYQSLNLTHV,posex_set/posex_self_docking_set/7SLZ_9QU/7SLZ_9QU_protein.pdb,posex_set/posex_self_docking_set/7SLZ_9QU/7SLZ_9QU_ligand_start_conf.sdf
7U9U_M89,N#Cc1ccc2c(c1)OC[C@@H](c1c[nH]c(=O)c(=O)[nH]1)S2,MRVVVIGAGVIGLSTALCIHERYHSVLQPLDIKVYADRFTPLTTTDVAAGLWQPYLSDPNNPQEADWSQQTFDYLLSHVHSPNAENLGLFLISGYNLFHEAIPDPSWKDTVLGFRKLTPRELDMFPDYGYGWFHTSLILEGKNYLQWLTERLTERGVKFFQRKVESFEEVAREGADVIVNCTGVWAGALQRDPLLQPGRGQIMKVDAPWMKHFILTHDPERGIYNSPYIIPGTQTVTLGGIFQLGNWSELNNIQDHNTIWEGCCRLEPTLKNARIIGERTGFRPVRPQIRLEREQLRTGPSNTEVIHNYGHGGYGLTIHWGCALEAAKLFGRILEEKKLSRMPPSHL,posex_set/posex_self_docking_set/7U9U_M89/7U9U_M89_protein.pdb,posex_set/posex_self_docking_set/7U9U_M89/7U9U_M89_ligand_start_conf.sdf
8BZI_SJL,CNc1ncc2cc(-c3cc(F)c(-c4cccc(C)n4)cc3F)c(=O)n(CCCCN)c2n1,MRAQLWGLALNKRRATLPHPGGSTNLKADPEELFTKLEKIGKGSFGEVFKGIDNRTQKVVAIKIIDLEEAEDEIEDIQQEITVLSQCDSPYVTKYYGSYLKDTKLWIIMEYLGGGSALDLLEPGPLDETQIATILREILKGLDYLHSEKKIHRDIKAANVLLSEHGEVKLADFGVAGQLTDTQIKRNTFVGTPFWMAPEVIKQSAYDSKADIWSLGITAIELARGEPPHSELHPMKVLFLIPKNNPPTLEGNYSKPLKEFVEACLNKEPSFRPTAKELLKHKFILRNAKKTSYLTELIDAHHHHHH,posex_set/posex_self_docking_set/8BZI_SJL/8BZI_SJL_protein.pdb,posex_set/posex_self_docking_set/8BZI_SJL/8BZI_SJL_ligand_start_conf.sdf
7S2K_PAB,Nc1ccc(C(=O)O)cc1,MNKSLIIFGIVNITSDSFSDGGRYLAPDAAIAQARKLMAEGADVIDLGPASSNPDAAPVSSDTEIARIAPVLDALKADGIPVSLDSYQPATQAYALSRGVAYLNDIRGFPDAAFYPQLAKSSAKLVVMHSVQDGQADRREAPAGDIMDHIAAFFDARIAALTGAGIKRNRLVLDPGMGFFLGAAPETSLSVLARFDELRLRFDLPVLLSVSRKSFLRALTGRGPGDVGAATLAAELAAAAGGADFIRTHEPRPLRDGLAVLAALKETARIR,posex_set/posex_self_docking_set/7S2K_PAB/7S2K_PAB_protein.pdb,posex_set/posex_self_docking_set/7S2K_PAB/7S2K_PAB_ligand_start_conf.sdf
8HKA_UB7,O=C(O)c1ccc(C(=O)O)cc1,SHMQTPQALKIIVPYPAGGTADILPRVVAEKLRAQFPAGVLIDNRTGAGGNIGAEAVFRAEPDGNTLLASPPGPIAINHHLYRKMAFDPSKWEPVTVLATVPNVLVVNPRLPVKNVQEFIAYAKANPGKVTYGSQGNGTTSHLTASLFMQLTGTEMVHVPYKGTAPALVDLVGGQIDVFFDNISSSLPFHQAGKLRILGVADEQRSAALPEVPTFAEQGLPSMNAVTWFAVVAPPGTPAAKVAALQKSFAGALTQPEVQQKFAEQGAEPRGWDPARTGQFIRAESAKWDRVIRSANVRLDLEHHHHHH,posex_set/posex_self_docking_set/8HKA_UB7/8HKA_UB7_protein.pdb,posex_set/posex_self_docking_set/8HKA_UB7/8HKA_UB7_ligand_start_conf.sdf
7LCU_XTA,CN1CCN(c2ncc(Oc3cc(CN4CCC(CC(=O)O)CC4)cc(-c4cc(Cl)cc(Cl)c4)n3)cn2)CC1,DVYQEPTDPKFPQQWYLSGVTQRDLNVKAAWAQGYTGHGIVVSILDDGIEKNHPDLAGNYDPGASFDVNDQDPDPQPRYTQMNDNRHGTRCAGEVAAVANNGVCGVGVAYNARIGGVRMLDGEVTDAVEARSLGLNPNHIHIYSASWGPEDDGKTVDGPARLAEEAFFRGVSQGRGGLGSIFVWASGNGGREHDSCNCDGYTNSIYTLSISSATQFGNVPWYSEACSSTLATTYSSGNQNEKQIVTTDLRQKCTESHTGTSASAPLAAGIIALTLEANKDLTWRDMQHLVVQTSKPAHLNANDWATNGVGRKVSHSYGYGLLDAGAMVALAQDWTTVAPQRKCIIDILTEPKDIGKRLEVRKTVTACLGEPNHITRLEHAQARLTLSYNRRGDLAIHLVSPMGTRSTLLAARPHDYSADGFNDWAFMTTHSWDEDPSGEWVLEIENTSEANNYGTLTKFTLVLYGTAGENLYFQGDYKDDDDKGHHHHHH,posex_set/posex_self_docking_set/7LCU_XTA/7LCU_XTA_protein.pdb,posex_set/posex_self_docking_set/7LCU_XTA/7LCU_XTA_ligand_start_conf.sdf
8DTD_PPF,O=C(O)P(=O)(O)O,MLNGINHLCFSVSNLEDSIEFYEKVLEGELLVRGRKLAYFNICGVWVALNEEIHIPRNEIYQSYTHIAFSVEQKDFESLLQRLEENDVHILKGRERDVRDCESIYFVDPDGHKFEFHSGTLQDRLNYYREDKPHMTFY,posex_set/posex_self_docking_set/8DTD_PPF/8DTD_PPF_protein.pdb,posex_set/posex_self_docking_set/8DTD_PPF/8DTD_PPF_ligand_start_conf.sdf
8W8J_W1Q,Nc1ncnc2cc(-c3cccc(S(=O)(=O)NC(=O)[C@@H]4CCCN4)c3)cc(F)c12,MGHHHHHHMRTSQYLLSTLKETPADAVVISHQLLLRAGMIRRLASGLYTWLPMGLRVLRKVETIVREEMNAAGALEVLMPAVQPAELWQESGRWEQYGPELLRLKDRHEREFCVGPTHEEVITDLARNELNSYKQLPINFYQIQTKFRDEIRPRFGLMRGREFIMKDAYSFHLSQDSLQQTYDGMYQAYSKIFSRLGLDFRPVQADNGSIGGSGSHEFHVLANSGEDDIVFSDSSDYAANIEKAEAVPRESARGSATEDMRLVDTPNTKTIAALVDGFQLPIEKTIKTLVVHGAEEGTLVALIVRGDHELNEIKAANQPLVASPLVFASEAEIRAAIGAGPGSLGPVNLPIACIVDRSVALMSDFAAGANIEDKHYFGVNWERDLPLPEVADLRNVVEGDPSPDGKGTLVIKRGIEVGHIFQLGTKYSEAMKLSVLSEQGKPVNLIMGCYGIGVSRVVAAAIEQNHDERGILWPSALAPFQIALVPLKYETESVKQATDKLYAELTAAGFEVLLDDRDKKTSPGVKFADMELIGIPHRIVISDRGLSEGVLEYKGRRDSESQNLPIGELMSFITEKLSR,posex_set/posex_self_docking_set/8W8J_W1Q/8W8J_W1Q_protein.pdb,posex_set/posex_self_docking_set/8W8J_W1Q/8W8J_W1Q_ligand_start_conf.sdf
7OLI_8HG,Nc1nc2c([nH]c(=O)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1,GSHMIARIIGEIGIEGARFIEENIDEQFKALRYLSKGIDSETFVKLVIANSLVSYQLTGKGEQWWWEFAKYFYGRDVKSIYLAYKEFLPNSRFNRRLIPQKLSRIRRVETFLSTLTEERIEEYYGDMSSLWGSIARALGVDKESKTVVFSVKMFGYAARIVLSTFNPYPMEIPIPEDSRIVKLTKKLTNEKPRKFWMKIARESGVPPLHIDSILWPLLGGASIDSAPPELRDKLAELIKIIR,posex_set/posex_self_docking_set/7OLI_8HG/7OLI_8HG_protein.pdb,posex_set/posex_self_docking_set/7OLI_8HG/7OLI_8HG_ligand_start_conf.sdf
7ZWL_K43,Nc1ncnc2c1ncn2[C@@H]1C[C@@H]2CO[P@@](=O)(O)O[C@@H]3[C@@H](CO[P@](=O)(O)O[C@H]2[C@H]1F)C[C@@H](n1cnc2c(N)ncnc21)[C@@H]3F,APAEISAVCEKGNFNVAHGLAWSYYIGYLRLILPELQARIRTYNQHYNNLLRGAVSQRLYILLPLDCGVPDNLSMADPNIRFLDKLPQQTGDRAGIKDRVYSNSIYELLENGQRAGTCVLEYATPLQTLFAMSQYSQAGFSREDRLEQAKLFCRTLEDILADAPESQNNCRLIAYQEPADDSSFSLSQEVLRHLRQEEKEEVTV|GSDSEVNQEAKPEVKPEVKPETHINLKVSDGSSEIFFKIKKTTPLRRLMEAFAKRQGKEMDSLRFLYDGIRIQADQTPEDLDMEDNDIIEAHREQIGG,posex_set/posex_self_docking_set/7ZWL_K43/7ZWL_K43_protein.pdb,posex_set/posex_self_docking_set/7ZWL_K43/7ZWL_K43_ligand_start_conf.sdf
7Z4V_IB5,CC(C)(C)c1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n[nH]1,GSMAHLRGFANQHSRVDPEELFTKLDRIGKGSFGEVYKGIDNHTKEVVAIKIIDLEEAEDEIEDIQQEITVLSQCDSPYITRYFGSYLKSTKLWIIMEYLGGGSALDLLKPGPLEETYIATILREILKGLDYLHSERKIHRDIKAANVLLSEQGDVKLADFGVAGQLTDTQIKRNTFVGTPFWMAPEVIKQSAYDFKADIWSLGITAIELAKGEPPNSDLHPMRVLFLIPKNSPPTLEGQHSKPFKEFVEACLNKDPRFRPTAKELLKHKFITRYTKKTSFLTELIDRYKRWKSEGS,posex_set/posex_self_docking_set/7Z4V_IB5/7Z4V_IB5_protein.pdb,posex_set/posex_self_docking_set/7Z4V_IB5/7Z4V_IB5_ligand_start_conf.sdf
7HM7_EPE,O=S(=O)(O)CCN1CCN(CCO)CC1,MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFNVGFNYSGGNAAPLKLCPLKM,posex_set/posex_self_docking_set/7HM7_EPE/7HM7_EPE_protein.pdb,posex_set/posex_self_docking_set/7HM7_EPE/7HM7_EPE_ligand_start_conf.sdf
8SBT_ZUY,C#CCCCn1c(Sc2c(C)cc(C)cc2C)nc2c(N)ncnc21,MGSSHHHHHHSSGLVPRGSHMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE,posex_set/posex_self_docking_set/8SBT_ZUY/8SBT_ZUY_protein.pdb,posex_set/posex_self_docking_set/8SBT_ZUY/8SBT_ZUY_ligand_start_conf.sdf
7VDU_65L,OCc1ccn(-c2ccc(Nc3cc4nc(OC5CCNCC5)ccc4cn3)c(F)c2)n1,GAMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_self_docking_set/7VDU_65L/7VDU_65L_protein.pdb,posex_set/posex_self_docking_set/7VDU_65L/7VDU_65L_ligand_start_conf.sdf
8FID_NE4,C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3,MAHHHHHHGSTQEHSTPSATDYRDAFAALAAPENNSNPYEYMRWLREHDPVHRSASGIFLLSRHADIYWALKATGDTFRGPSAGDLARLFPRAAISRSLNLLASTLAMKEPPTHTRLRRLISRDFTVRQIDSLRPSIVQVTQTRLGNIASSLEKGHVVNLHEVFSVVLPMLIFAELFGMTQADIFELAASIRTILEGLNPHASDEQLAASDAASLEVERYFEGLIEKKRREPQSDLVSVLVSTHDDDDDKLSDTELISMLWGILLGGFATTAAMIDHAILDMLAFPEQRRWLEGDAASVKAFIEEVLRYDAPAMFSSIPRIAQYDITIGDVTIPEGADVRVLLASGNRDPAAFPDPDRFDPSRFHGTAPGMSTYGHVLLSFGHGIHFCLGAQLARVQLAECLPVINARFPHLVLAGDPVREPSAFLRTFRSLPVRLDTSGR,posex_set/posex_self_docking_set/8FID_NE4/8FID_NE4_protein.pdb,posex_set/posex_self_docking_set/8FID_NE4/8FID_NE4_ligand_start_conf.sdf
8R5B_Y32,NC(=O)CC[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)O,GKEEKVELTLDPDTANPRLILSLDLKGVRLGERAQDLPNHPCRFDTNTRVLASCGFSSGRHHWEVEVGSKDGWAFGVARESVRRKGLTPFTPEEGVWALQLNGGQYWAVTSPERSPLSCGHLSRVRVALDLEVGAVSFYAVEDMRHLYTFRVNFQERVFPLFSVCSTGTYLRIWP,posex_set/posex_self_docking_set/8R5B_Y32/8R5B_Y32_protein.pdb,posex_set/posex_self_docking_set/8R5B_Y32/8R5B_Y32_ligand_start_conf.sdf
9BU1_A1ASN,CCCN1CC(COc2ccc([C@@H]3c4ccc(O)cc4CC4(CC4)N3C(=O)c3ccccc3)cc2)C1,HHHHHHENLYFQSMLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLESAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKSVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKSKNVVPLSDLLLEMLDAHRLHAPTS,posex_set/posex_self_docking_set/9BU1_A1ASN/9BU1_A1ASN_protein.pdb,posex_set/posex_self_docking_set/9BU1_A1ASN/9BU1_A1ASN_ligand_start_conf.sdf
8QBC_GEE,CCOC(=O)CN,MVLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLKTEAEMKASEDLKKVGVTALTALGAILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISEAIIHVLHSRHPGDFGADAQGAMNKALELFRKDIAAKYKELGYQGG,posex_set/posex_self_docking_set/8QBC_GEE/8QBC_GEE_protein.pdb,posex_set/posex_self_docking_set/8QBC_GEE/8QBC_GEE_ligand_start_conf.sdf
7PK0_BYC,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1,GMFLLQGAQMLQMLEKSLRKSLPMSLKVYGTVMHMNHGNPFNLKALVDKWPDFQTVVIRPQEQDMKDDLDHYTNTYHVYSEDLKNCQEFLDLPEVINWKQHLQIQSTQSSLNEVIQNLAATKSFKVKRSKNILYMASETIKELTPSLLDVKNLPVGDGKPKAIDPEMFKLSSVDPSHAAVVNRFWLFGGNERSLRFIERCIQSFPNFCLLGPEGTPVSWSLMDQTGEMRMAGTLPEYRAQGLVTHAIYQQAQCLLKRGFPVYSHVDPKNQIMQKMSQSLNHVPMPSDWNQWNCEPL,posex_set/posex_self_docking_set/7PK0_BYC/7PK0_BYC_protein.pdb,posex_set/posex_self_docking_set/7PK0_BYC/7PK0_BYC_ligand_start_conf.sdf
9BYJ_VSE,CN1CCN([C@H]2CC[C@@H](n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,MGHHHHHHIIVVALYDYEAIHHEDLSFQKGDQMVVLEESGEWWKARSLATRKEGYIPSNYVARVDSLETEEWFFKGISRKDAERQLLAPGNMLGSFMIRDSETTKGSYSLSVRDYDPRQGDTVKHYKIRTLDNGGFYISPRSTFSTLQELVDHYKKGNDGLCQKLSVPCMSSKPQKPWEKDAWEIPRESLKLEKKLGAGQFGEVWMATYNKHTKVAVKTMKPGSMSVEAFLAEANVMKTLQHDKLVKLHAVVTKEPIYIITEFMAKGSLLDFLKSDEGSKQPLPKLIDFSAQIAEGMAFIEQRNYIHRDLRAANILVSASLVCKIADFGLARVIEDNEYTAREGAKFPIKWTAPEAINFGSFTIKSDVWSFGILLMEIVTYGRIPYPGMSNPEVIRALERGYRMPRPENCPEELYNIMMRCWKNRPEERPTFEYIQSVLDDFYTATESQYEEIP,posex_set/posex_self_docking_set/9BYJ_VSE/9BYJ_VSE_protein.pdb,posex_set/posex_self_docking_set/9BYJ_VSE/9BYJ_VSE_ligand_start_conf.sdf
7LEV_0JO,C=C(/N=C/c1c(COP(=O)(O)O)cnc(C)c1O)C(=O)O,MERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELGVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLLMYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPIFICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAENRGALPLHHLIEKLKEYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQMLAELRSFVSAMKAASRA|MTTLLNPYFGEFGGMYVPQILMPALNQLEEAFVSAQKDPEFQAQFADLLKNYAGRPTALTKCQNITAGTRTTLYLKREDLLHGGAHKTNQVLGQALLAKRMGKSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLMGAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVREFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGLIGVEPGGHGIETGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSISAGLDFPSVGPQHAYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALESSHALAHALKMMREQPEKEQLLVVNLSGRGDKDIFTVHDILKARGEI,posex_set/posex_self_docking_set/7LEV_0JO/7LEV_0JO_protein.pdb,posex_set/posex_self_docking_set/7LEV_0JO/7LEV_0JO_ligand_start_conf.sdf
7MMS_FNR,Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2,SNILEMTKNYYDRSVSPVEYAYFDQSQNMRAINWNKIVDEKDLEVWNRVTQNFWLPENIPVSNDLPSWNELDDDWQQLITRTFTGLTLLDTVQSSIGDVAQIKNSLTEQEQVIYANFAFMVGVHARSYGTIFSTLCTSEQIEEAHEWVVDNEALQARPKALIPFYTADDPLKSKIAAALMPGFLLYGGFYLPFYLSARGKLPNTSDIIRLILRDKVIHNFYSGYKYQLKVAKLSPEKQAEMKQFVFDLLDKMIGLEKTYLHQLYDGFGLADEAIRFSLYNAGKFLQNLGYESPFTKEETRIAPEVFAQLSARADENHDFFSGSGSSYIIGTSEETLDEDWDF|SNILEMKELIVYFSTQSNNTHRFVQKLDAESIRIPIDEEERIKVDEDYVLIVPTYSGGKVTDAGQVDAHGAVPKQVIHFLNDPDNRKHCLGVISSGNTNFGDSFAIAGPVISYKLKVPLLYQFELIGTKEDVEEVNRIISETFNADQ,posex_set/posex_self_docking_set/7MMS_FNR/7MMS_FNR_protein.pdb,posex_set/posex_self_docking_set/7MMS_FNR/7MMS_FNR_ligand_start_conf.sdf
8ZU2_A1D85,Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(N3CCCNCC3)c2)cc(C(N)=O)c1N,HQLQPRRVSFRGEASETLQSPGYDPSRPESFFQQSFQRLSRLGHGSYGEVFKVRSKEDGRLYAVKRSMSPFRGPKDRARKLAEVGSHEKVGQHPCCVRLEQAWEEGGILYLQTELCGPSLQQHCEAWGASLPEAQVWGYLRDTLLALAHLHSQGLVHLDVKPANIFLGPRGRCKLGDFGLLVELGTAGAGEVQEGDPRYMAPELLQGSYGTAADVFSLGLTILEVACNMELPHGGEGWQQLRQGYLPPEFTAGLSSELRSVLVMMLEPDPKLRATAEALLALPVLRQ,posex_set/posex_self_docking_set/8ZU2_A1D85/8ZU2_A1D85_protein.pdb,posex_set/posex_self_docking_set/8ZU2_A1D85/8ZU2_A1D85_ligand_start_conf.sdf
8G6P_API,N[C@H](CCC[C@H](N)C(=O)O)C(=O)O,HMMNLRPSDPVGASLRHLAEQVHAVPIGSVEVPDLHISGITLRSQDARRGDLFAALAGASAHGADHAADAVARGAVAVLTDSAGATRLDGTVPAPVLVHPNPRTVLGELAATVYGRPADRLRVIGITGTSGKTTTAYLVEAGLRAADRVPGLIGTVGVRIDGMDEPSALTTPEAPDLQALLAVMADRGVDTVVMEVSSHALSLHRVDGVRFAVGGFTNLSRDHLDFHPTMADYFAAKARLFDPQAPTCAERSVICIDDEAGRAMLAGAHRPVSVSATGQRADWVAEDVRFAGPTAQDFTAVDPAGVRHRLRVGLPGRFNIANCLLAVALLDAVGVSPAQAAPGLRTATVPGRLEPVDRGQDFLALVDYAHKPGALSAVLDSLRASATGRLAVVFGAGGNRDPGKREEMGRVAAERADLVVVTDDNPRDEDPAAIRAAIVAGAKSVAGQAQIVEIADRREAIDHAVRWAGAGDVVLIAGKGHESGQTRGGQTRPFDDRAELAAALVART,posex_set/posex_self_docking_set/8G6P_API/8G6P_API_protein.pdb,posex_set/posex_self_docking_set/8G6P_API/8G6P_API_ligand_start_conf.sdf
7W8X_8IK,Cc1ccc2c(C[C@H](N)C(=O)O)c[nH]c2c1,GSHLEPTQLGGLVTDQLARLCDVARLDRTDTETYVQTLATSLGTAAERSLALPPTTATLLSDDHTPVEYSLAFLPGATPALRVLVEPGWDSGDLAENGRAGLRAIRAMADRWNFSTDQLDLLEDLFFPVAPAGPFALWCALELRPGGVPGVKVYLNPAARGRDRRAETLREALDRLGHRQAFAALPPADDYPFLALDLGEWAAPRVKVYCTHESLSAQEAGEYSRLAAADGRDQTTDFFHAVAGTDAGGTGQPSTRRALTCHSFTDTVTGRPSGFTLHMPVRSYVEHDGRARDRAADVLRRYGMDNDALDRALAAVTPRPLDDGVGLVAYVALVHQLGRDPRVTVYVSSEAYAVQPPRTALATGPGIGR,posex_set/posex_self_docking_set/7W8X_8IK/7W8X_8IK_protein.pdb,posex_set/posex_self_docking_set/7W8X_8IK/7W8X_8IK_ligand_start_conf.sdf
7OQN_U,O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,ELSFGARAELPRIHPVASKLLRLMQKKETNLCLSADVSLARELLQLADALGPSICMLKTHVDILNDFTLDVMKELITLAKCHEFLIFEDRKFADIGNTVKKQYEGGIFKIASWADLVNAHVVPGSGVVKGLQEVGLPLHRGCLLIAEMSSTGSLATGDYTRAAVRMAEEHSEFVVGFISGSRVSMKPEFLHLTPGVQLEAGGDNLGQQYNSPQEVIGKRGSDIIIVGRGIISAADRLEAAEMYRKAAWEAYLSRLGV|ELSFGARAELPRIHPVASKLLRLMQKKETNLCLSADVSLARELLQLADALGPSICMLKTHVDILNDFTLDVMKELITLAKCHEFLIFEDRKFADIGNTVKKQYEGGIFKIASWADLVNAHVVPGSGVVKGLQEVGLPLHRGCLLIAEMSSTGSLATGDYTRAAVRMAEEHSEFVVGFISGSRVSMKPEFLHLTPGVQLEAGGDNLGQQYNSPQEVIGKRGSDIIIVGRGIISAADRLEAAEMYRKAAWEAYLSRLGV,posex_set/posex_self_docking_set/7OQN_U/7OQN_U_protein.pdb,posex_set/posex_self_docking_set/7OQN_U/7OQN_U_ligand_start_conf.sdf
8AOZ_MZU,Nc1c([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)n[nH]c1C(=O)O,MALDRPDRSGAVRVSAPARLSFTAISLDGSSLRRNGIAAMAVDRPGLTAEVREAADGIVAVTGTAEETARELAAALEALRKLWDGPAARVDVLEALPQHSGFGSKTSTLLAVGHAYGRLCGVEPDLRELARTLGRGRTSGASTGLSAYGGFLVDGGHVNPPDFAEAPQKYLRPSRFAQQVAPPKPVVRLDFPDWPVLVLLTHGRHLGGQEELEWFHSVAPIPAEESWRTSHLVFMGLAPAVLEQDFDAFCAAVNEITFTGHFKQAQIAFQGDAVADVLEAGRAAPSVDAIALSVTGPACFAFTKRPEDAERWAWELKNRGLIRDFWFTRANNQGLATTVVS,posex_set/posex_self_docking_set/8AOZ_MZU/8AOZ_MZU_protein.pdb,posex_set/posex_self_docking_set/8AOZ_MZU/8AOZ_MZU_ligand_start_conf.sdf
8OTM_VZI,O=C(NCc1cn(Cc2ccc(Oc3ccccc3)c(O)c2)nn1)c1cc2ccccc2oc1=O,GSMTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL,posex_set/posex_self_docking_set/8OTM_VZI/8OTM_VZI_protein.pdb,posex_set/posex_self_docking_set/8OTM_VZI/8OTM_VZI_ligand_start_conf.sdf
7T1G_E66,CN(C)c1cc(CN2CCOCC2)nc2nc(NCc3ccc(C(C)(C)C)cc3)nn12,MAHHHHHHMPRITQEISYNCDYGDNTFNLAIDIGGTLAKVVFSPIHSNRLMFYTIETEKIDKFMELLHSIIKEHNNGCYRMTHIIATGGGAFKFYDLLYENFPQIKGISRFEEMEGLIHGLDFFIHEIPDEVFTYNDQDGERIIPTSSGTMDSKAIYPYLLVNIGSGVSILKVTEPNNFSRVGGSSLGGGTLWGLLSLITGAQTYDQMLDWAQEGDNSSVDMLVGDIYGTDYNKIGLKSSAIASSFGKVFQNRMTSNKSLENNENKLYSSHESIEKNNGQMFKNPDICKSLLFAISNNIGQIAYLQAKINNIQNIYFGGSYTRGHLTTMNTLSYAINFWSQGSKQAFFLKHEGYLGAMGAFLSASRHSSTKKTST,posex_set/posex_self_docking_set/7T1G_E66/7T1G_E66_protein.pdb,posex_set/posex_self_docking_set/7T1G_E66/7T1G_E66_ligand_start_conf.sdf
8Y4B_A1LXB,C[C@@H]1O[C@](O)(C(=O)O)CC1=O,MRGSHHHHHHGSASTGRLAGKTVLITAAAQGIGRASTELFAREGARVIATDISKTHLEELASIAGVETHLLDVTDDDAIKALVAKVGTVDVLFNCAGYVAAGNILECDDKAWDFSFNLNAKAMFHTIRAVLPGMLAKKAGSIVNIASAASSVKGVANRFAYGASKAAVVGLTKSVAADFVSQGIRCNAICPGTIESPSLNQRISTQAKETGKSEDEVRAAFVARQPMGRIGKAEEVAALALYLASDESNFTTGSIHMIDGGWSN,posex_set/posex_self_docking_set/8Y4B_A1LXB/8Y4B_A1LXB_protein.pdb,posex_set/posex_self_docking_set/8Y4B_A1LXB/8Y4B_A1LXB_ligand_start_conf.sdf
7YQR_NCA,NC(=O)c1cccnc1,MGSSHHHHHHSQGSMHYLDNLLLNTDSYKASHWLQYPPGTDASFFYVESRGGVYDQTAFFGLQSILKEAINRPVTHADIDDAKALLAAHGEPFNEAGWRDIVDRLGGQLPIRIRAVPEGCVVPTHNVLMTIESTDAKAFWVPSYLETLLLRVWYPVTVATVSWQVKQIVRDFLQRTSDDPEGQLPFKLHDFGARGVSSLGSAALGGAAHLVNFLGTDTLSALLLARAHYHTPVAGYSIPAAEHSTITSWGREREVDAYRNMLTQFARPGAIVAVVSDSYDIYRAIREHWGTTLREEIIASGATVVIRPDSGDPVDVVEQCLLLLDEAFGHQVNGKGYKVLNHVRVIQGDGINPQSLRAILERITAAGYAADNVAFGMGGALLQKVDRDTQKFALKCSAVRVDGAWIDVYKDPITDQGKQSKRGRLTLLRDRATGQYRSALLDEVATHAGDSDDALVTVWENGQMLREWTLEQVRAHADAARL,posex_set/posex_self_docking_set/7YQR_NCA/7YQR_NCA_protein.pdb,posex_set/posex_self_docking_set/7YQR_NCA/7YQR_NCA_ligand_start_conf.sdf
7B56_ANP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O,SMMATITCTRFTEEYQLFEELGKGAFSVVRRCVKVLAGQEYAAKIINTKKLSARDHQKLEREARICRLLKHPNIVRLHDSISEEGHHYLIFDLVTGGELFEDIVAREYYSEADASHCIQQILEAVLHCHQMGVVHRDLKPENLLLASKLKGAAVKLADFGLAIEVEGEQQAWFGFAGTPGYLSPEVLRKDPYGKPVDLWACGVILYILLVGYPPFWDEDQHRLYQQIKAGAYDFPSPEWDTVTPEAKDLINKMLTINPSKRITAAEALKHPWISHRSTVASCMHRQETVDCLKKFNARRKLKGAILAAMLATRNFSG|SNATDTAEQVIASFRILASDKPYILAEELRRELPPDQAQYCIKRMPAYSGPGSVPGALDYAAFSSALYGESDL,posex_set/posex_self_docking_set/7B56_ANP/7B56_ANP_protein.pdb,posex_set/posex_self_docking_set/7B56_ANP/7B56_ANP_ligand_start_conf.sdf
7ZWG_R7W,O=C1NC(=O)/C(=C/c2ccc3ncccc3c2)S1,SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK,posex_set/posex_self_docking_set/7ZWG_R7W/7ZWG_R7W_protein.pdb,posex_set/posex_self_docking_set/7ZWG_R7W/7ZWG_R7W_ligand_start_conf.sdf
8WWQ_XQ8,O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,MGTEAKEKPESHPMNGGDDSKSYAQNSSYQKGVIEAAKAEVLLAIKEKLDFKTDWPRTFVIADYGCSTGPNTFFAMQNIVEAVELKNKSLQKPPIVDFHVFFNDLVDNDFNTLFKSLPSARNYFAAAVPGSFYERLFPKASLHLANSSYALHWLSKVPEEVRDQNSLAWNKSRTYCSGTNKEVTGAYFAQFRKDLNRFLNARAEELVGGGLLVIQLPGVPSGALPFNTGAGFLQELLGPCLFEMADLGFISHEKVYSFNLPMYFPSIEELNLVIKGNGHFTAEKIKILNHPMQQLLFDAKMTCLQFRSIFEGFIKDHFEIDIVDQLFDLYAKKLEESCSIFDQEIRKDVDLFVLLKRVLEHHHHHH,posex_set/posex_self_docking_set/8WWQ_XQ8/8WWQ_XQ8_protein.pdb,posex_set/posex_self_docking_set/8WWQ_XQ8/8WWQ_XQ8_ligand_start_conf.sdf
8W4S_AJR,COc1ccc(CNc2nc(N(CCO)CCO)nc3c2ncn3C(C)C)cc1,MGSSHHHHHHSSGLVPRGSHMEETRELQSLAAAVVPSAQTLKITDFSFSDFELSDLETALCTIRMFTDLNLVQNFQMKHEVLCRWILSVKKNYRKNVAYHNWRHAFNTAQCMFAALKAGKIQNKLTDLEILALLIAALSHDLDHRGVNNSYIQRSEHPLAQLYCHSIMEHHHFDQCLMILNSPGNQILSGLSIEEYKTTLKIIKQAILATDLALYIKRRGEFFELIRKNQFNLEDPHQKELFLAMLMTACDLSAITKPWPIQQRIAELVATEFFDQGDRERKELNIEPTDLMNREKKNKIPSMQVGFIDAICLQLYEALTHVSEDCFPLLDGCRKNRQKWQALAEQQ,posex_set/posex_self_docking_set/8W4S_AJR/8W4S_AJR_protein.pdb,posex_set/posex_self_docking_set/8W4S_AJR/8W4S_AJR_ligand_start_conf.sdf
7N60_ANN,COc1ccc(C(=O)O)cc1,TIPHLAIDPFSLDFFDDPYPDQQTLRDAGPVVYLDKWNVYGVARYAEVHAVLNDPTTFCSSRGVGLSDFKKEKPWRPPSLILEADPPAHTRPRAVLSKVLSPATMKTIRDGFAAAADAKVDELLQRGCIDAIADLAEAYPLSVFPDAMGLKQEGREHLLPYAGLVFNAFGPPNELRQTAIERSAPHQAYVNEQCQRPNLAPGGFGACIHAFTDTGEITPDEAPLLVRDLLSAGLDTTVNGIGAAVYCLARFPGELQRLRSDPTLARNAFEEAVRFESPVQTFFRTTTREVELGGAVIGEGEKVLMFLGSANRDPRRWSDPDLYDITRKTSGHVGFGSGVHMCVGQLVARLEGEVMLSALARKVAAIDIDGPVKRRFNNTLRGLESLPVKLTPA,posex_set/posex_self_docking_set/7N60_ANN/7N60_ANN_protein.pdb,posex_set/posex_self_docking_set/7N60_ANN/7N60_ANN_ligand_start_conf.sdf
7F10_0BJ,COC(=O)c1cc(C)cc(O)c1C(=O)c1c(O)cccc1O,MGSSHHHHHHSSGLVPRGSHMPAPAEVQAATLEKFIQGWAGWTPDGFLANWSEDCTQKTLPFSSGVPLRTRADTEKLFPVLMSLMSNFTLDIHNVVHDAPQGKAVIYALTKADTPFGPYRNEHAIFLWFNEIGDRVQKIEEMFDAVVIQEFLPKLDKYVADNKMQLGAKFS,posex_set/posex_self_docking_set/7F10_0BJ/7F10_0BJ_protein.pdb,posex_set/posex_self_docking_set/7F10_0BJ/7F10_0BJ_ligand_start_conf.sdf
7CQS_GJL,Cc1c(C(=O)c2c[nH]n(C)c2=O)ccc(S(C)(=O)=O)c1C1=NOCC1,KNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMVHASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSSHGLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGDVVLRYVSYKAEDTEKSEFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTYVAGFTGFHQFAEFTADDVGTAESGLNSAVLASNDEMVLLPINEPVHGTKRKSQIQTYLEHNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKRVGDVLSDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRVGCMMKDEEGKAYQSGGCGGFGKGNFSELFKSIEEYE,posex_set/posex_self_docking_set/7CQS_GJL/7CQS_GJL_protein.pdb,posex_set/posex_self_docking_set/7CQS_GJL/7CQS_GJL_ligand_start_conf.sdf
5S9U_FAD,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C,GSHMSKAFDLVVIGAGSGGLEAGWNAATLYGKRVAVVDVQTSHGPPFYAALGGTCVNVGCVPKKLMVTGAQYMDHLRESAGFGWEFDGSSVKANWKKLIAAKNEAVLDINKSYEGMFNDTEGLDFFLGWGSLESKNVVVVRETADPKSAVKERLQADHILLATGSWPQMPAIPGIEHCISSNEAFYLPEPPRRVLTVGGGFISVEFAGIFNAYKPPGGKVTLCYRNNLILRGFDETIREEVTKQLTANGIEIMTNENPAKVSLNTDGSKHVTFESGKTLDVDVVMMAIGRIPRTNDLQLGNVGVKLTPKGGVQVDEFSRTNVPNIYAIGDITDRLMLTPVAINEGAALVDTVFGNKPRKTDHTRVASAVFSIPPIGTCGLIEEVAAKEFEKVAVYMSSFTPLMHNISGSKYKKFVAKIVTNHSDGTVLGVHLLGDGAPEIIQAVGVCLRLNAKISDFYNTIGVHPTSAEELCSMRTPSYYYVKGEKMEKLPDSNL,posex_set/posex_self_docking_set/5S9U_FAD/5S9U_FAD_protein.pdb,posex_set/posex_self_docking_set/5S9U_FAD/5S9U_FAD_ligand_start_conf.sdf
7V43_C4O,Cc1ccc(Cl)cc1,MTTVESNTTAAIPDEIARQIVLPEGHKDNVPLFEAYRWLRENQPLGQARVEGYDPLWLITKYADLMEVERQPQIFAAGGGEDKGSNNPILANQAGDEFTRQLLGGNLRILDALPYLDQPEHSVVKDVAFDWFRPANLKKWEDRIRETARASIDRLLAGGPDLDAVQEFAVFFPLRVIMSLFGVPEEDEPRMMALTQDFFGVADPDAQRDDIEALSPDAAAQQWAATIADFYAYFDVLVESRRAEPRDDLATLIAVAKDENGEYFPKTFAYGWFVAIATAGHDTTASTLAGCLQSLAAHPEVLDRVKGDPDLIPDLVNESLRIVSPVKHFTRVALQDYEMRGQKIKAGDRLMLLFQSGNRDAEVFDRPDDFDIDRRPNKHIAFGYGPHMCIGQHLAKLELKVMLQELLPHLERVEVSGEPKLIQTNFVGGLRKLPVHLTFS,posex_set/posex_self_docking_set/7V43_C4O/7V43_C4O_protein.pdb,posex_set/posex_self_docking_set/7V43_C4O/7V43_C4O_ligand_start_conf.sdf
7YDA_IRV,O=C(CCCCn1ccnc1)N[C@@H](Cc1ccccc1)C(=O)O,MGMTIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLVTSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEVMNKLQRANPDDPAYDENKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLDDENIRYQIITFLIAGHEVTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPLLEHHHHHH,posex_set/posex_self_docking_set/7YDA_IRV/7YDA_IRV_protein.pdb,posex_set/posex_self_docking_set/7YDA_IRV/7YDA_IRV_ligand_start_conf.sdf
7SZF_D82,N=C1N[C@H]2[C@H](COC(N)=O)NC(=N)N3CC[C@H](O)[C@]23N1,MTTADLILINNWYVVAKVEDCRPGSITTAHLLGVKLVLWRSHEQNSPIQVWQDYCPHRGVPLSMGEVANNTLVCPYHGWRYNQAGKCVQIPAHPDMVPPASAQAKTYHCQERYGLVWVCLGNPVNDIPSFPEWDDPNYHKTYTKSYLIQASPFRVMDNSIDVSHFPFIHEGILGDRNHAEVEDLEVKVDKDGLTMGKYQVHTSKFNNSTKDDSMVNWFRLSHPLCQYCSTEASEMRTVDLMVVTPIDEDNSVLRYLIMWNGSKTLESKILADYDQVIEEDIRILHSQQPTRLPLLSPKQINTQGLPQEIHVPSDRCTVAYRRWLKELGVTYGVC,posex_set/posex_self_docking_set/7SZF_D82/7SZF_D82_protein.pdb,posex_set/posex_self_docking_set/7SZF_D82/7SZF_D82_ligand_start_conf.sdf
8HVZ_80I,COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)COP(=O)(O)O)cc12,FRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFFDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCS,posex_set/posex_self_docking_set/8HVZ_80I/8HVZ_80I_protein.pdb,posex_set/posex_self_docking_set/8HVZ_80I/8HVZ_80I_ligand_start_conf.sdf
8BAM_QBF,COc1cc(CCCO)cc(OC)c1O,MTRTLPPGVSDERFDAALQRFRDVVGDKWVLSTADELEAFRDPYPVGAAEANLPSAVVSPESTEQVQDIVRIANEYGIPLHPVSTGKNNGYGGAAPRLSGSVIVKTGERMNRILEVNEKYGYALLEPGVTYFDLYEYLQSHDSGLMLDCPELGWGSVVGNTLDRGVGYTPYGDHFMWQTGLEVVLPQGEVMRTGMGALPGSDAWQLFPYGFGPFPDGMFTQSNLGIVTKMGIALMQRPPASQSFLITFDKEEDLEQIVDIMLPLRINMAPLQNVPVLRNIFMDAAAVSKRTEWFDGDGPMPAEAIERMKKDLDLGFWNFYGTLYGPPPLIEMYYGMIKEAFGKIPGARFFTHEERDDRGGHVLQDRHKINNGIPSLDELQQLDWVPNGGHIGFVPVSAPDGREAMKQFEMVRNRANEYNKDYMASFVIGLREMYHVCLFIYDTADPEAREEILQMTKVLVREAAEAGYGEYRTHNALMDDVMATFNWGDGALLKFHEKIKDALDPNGIIAPGKSGIWPQRFRGQNL,posex_set/posex_self_docking_set/8BAM_QBF/8BAM_QBF_protein.pdb,posex_set/posex_self_docking_set/8BAM_QBF/8BAM_QBF_ligand_start_conf.sdf
8WDX_W6K,Cc1cccc(Nc2cccc(Cl)c2-c2ccccc2)c1C(=O)O,MGSSHHHHHHSSGLVPRGSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_self_docking_set/8WDX_W6K/8WDX_W6K_protein.pdb,posex_set/posex_self_docking_set/8WDX_W6K/8WDX_W6K_ligand_start_conf.sdf
7DUB_HKU,CC(C)n1ccnc1C(=O)O,EYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNR,posex_set/posex_self_docking_set/7DUB_HKU/7DUB_HKU_protein.pdb,posex_set/posex_self_docking_set/7DUB_HKU/7DUB_HKU_ligand_start_conf.sdf
8DL4_SKX,CCN(CC)c1ccc2cc(C(=O)NC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)c(=O)oc2c1,MSATKSIVGEALEYVNIGLSHFLALPLAQRISLIIIIPFIYNIVWQLLYSLRKDRPPLVFYWIPWVGSAVVYGMKPYEFFEECQKKYGDIFSFVLLGRVMTVYLGPKGHEFVFNAKLADVSAEAAYAHLTTPVFGKGVIYDCPNSRLMEQKKFVKGALTKEAFKSYVPLIAEEVYKYFRDSKNFRLNERTTGTIDVMVTQPEMTIFTASRSLLGKEMRAKLDTDFAYLYSDLDKGFTPINFVFPNLPLEHYRKRDHAQKAISGTYMSLIKERRKNNDIQDRDLIDSLMKNSTYKDGVKMTDQEIANLLIGVLMGGQHTSAATSAWILLHLAERPDVQQELYEEQMRVLDGGKKELTYDLLQEMPLLNQTIKETLRMHHPLHSLFRKVMKDMHVPNTSYVIPAGYHVLVSPGYTHLRDEYFPNAHQFNIHRWNNDSASSYSVGEEVDYGFGAISKGVSSPYLPFGGGRHRCIGEHFAYCQLGVLMSIFIRTLKWHYPEGKTVPPPDFTSMVTLPTGPAKIIWEKRNPEQKIGGRHHHHHH,posex_set/posex_self_docking_set/8DL4_SKX/8DL4_SKX_protein.pdb,posex_set/posex_self_docking_set/8DL4_SKX/8DL4_SKX_ligand_start_conf.sdf
8PVS_GLA,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,SGTIAVKVPASSLLMTRQETGETRLDRSFSNAGLSIGGKKYATGIGTHATSMIPLPVPENPKVLRLEGACGIDDGADGDGSVEFRVMSGSEVLWSSGVMRRGMAAKKFSIPVAENGIRHLYLMADRVDNNSYDHADWVDLAWKTTGSGQGMKGAVVNASEFGMVPGVRKDQGPALRAAVSALRRQGGGVLNIPRGIYHFYPEGALNMSFHISNHDQPLIHPVCVPLADLRNVRVEGNGSLFLFHGKVVPLLVMDSENVSINRLSVDYERSWCTEARVVKTDDRFTEVEIDKKAYPYEIRNNRFVFQGKGWEEGMGSCMAFEKGTGHIIANTSDIGWNGHVEPLGGSRLRLSWNLRQKGIKPGDTLVLRNYNRPHPGCVVYRARKTSLNDVSLHQSSGMALLVQRSEDFHMKGGGVMVRKGTGRVHTAGADATHFSNTRGGIVVEKALFEGMMDDAINVHSTCLGVMEVVDSHTLKCKYMHRQAVGFEVFLPGEKIRFINGPTLEPGGTATVKTAVKKNSAEMVITVEEPLPSSVRAGDAVENADFYPSVVFRNNIVRNNRARGSLFTTPERVLVEGNLFDHSSGSAILLAGDAQGWYESGACHEVVIRKNTFINNLTSRYQFTNAIISIYPEVKQLDRQRDYYHRNVLIENNVFKTFDVPLLFAISTDNLKFINNKVIYNDEFKGWGQKPFQFRRCANILIKDNKVLPPRTWTLEDCKLENTPSDQVRFGG,posex_set/posex_self_docking_set/8PVS_GLA/8PVS_GLA_protein.pdb,posex_set/posex_self_docking_set/8PVS_GLA/8PVS_GLA_ligand_start_conf.sdf
8YTP_A1LZO,O=C(O)CNC(=O)Cc1ccc(O)c([N+](=O)[O-])c1,GSAQAVVTQESALTTSPGETVTLTCRSSTGAVISSNFVSWVQEKPDHLFTGLIGGNKNRAPGVPARFSGSLIGDKAVLTITGAQTEDEAIYFCALWYSNHWVFGGGTKLTVLGQGGGGSGGGGSGGGGSQVQLQQPGAELAKPGASVQLSCKGSGYTFPNYWMHWVTQRPGRGLEWIGRIDPNSGFIRYDERFKTKATLTVDKPSSTAYMQLSSLTSDDSAVYFCARGCYGCIHFDYWGQGTTLTVSS,posex_set/posex_self_docking_set/8YTP_A1LZO/8YTP_A1LZO_protein.pdb,posex_set/posex_self_docking_set/8YTP_A1LZO/8YTP_A1LZO_ligand_start_conf.sdf
7ROR_69X,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OC(=O)[C@@H](N)Cc2ccc(O)cc2)[C@@H](O)[C@H]1O,GMETTDTKREEQEIEEKKAQEESKIEDVDKILNDILSISSECIQPDELRVKLLLKRKLICYDGFEPSGRMHIAQGLLKSIIVNKLTSNGCTFIFWIADWFAHLNNKMSGDLKKIKKVGSYFIEVWKSCGMNMENVQFLWASEEINKKPNEYWSLVLDISRSFNINRMKRCLKIMGRSEGEENYCSQILYPCMQCADIFFLNVDICQLGIDQRKVNMLAREYCDIKKIKKKPVILSHGMLPGLLEGQEKMSKSDENSAIFMDDSESDVNRKIKKAYCPPNVIENNPIYAYAKSIIFPSYNEFNLVRKEKNGGDKTYYTLQELEHDYVNGFIHPLDLKDNVAMYINKLLQPVRDHFQNNIEAKNLLNEIKKYKVTK,posex_set/posex_self_docking_set/7ROR_69X/7ROR_69X_protein.pdb,posex_set/posex_self_docking_set/7ROR_69X/7ROR_69X_ligand_start_conf.sdf
8QC4_TXR,O=C(O)c1cccc(-c2ccc(C(=O)O)o2)c1,HMSELSVATGAVSTASSSIPMPAGVNPADLAAELAAVVTESVDEDYLLYECDGQWVLAAGVQAMVELDSDELRVIRDGVTRRQQWSGRPGAALGEAVDRLLLETDQAFGWVAFEFGVHRYGLQQRLAPHTPLARVFSPRTRIMVSEKEIRLFDAGIRHREAIDRLLATGVREVPQSRSVDVSDDPSGFRRRVAVAVDEIAAGRYHKVILSRCVEVPFAIDFPLTYRLGRRHNTPVRSFLLQLGGIRALGYSPELVTAVRADGVVITEPLAGTRALGRGPAIDRLARDDLESNSKEIVEHAISVRSSLEEITDIAEPGSAAVIDFMTVRERGSVQHLGSTIRARLDPSSDRMAALEALFPAVTASGIPKAAGVEAIFRLDECPRGLYSGAVVMLSADGGLDAALTLRAAYQVGGRTWLRAGAGIIEESEPEREFEETCEKLSTLTPYLVARQ,posex_set/posex_self_docking_set/8QC4_TXR/8QC4_TXR_protein.pdb,posex_set/posex_self_docking_set/8QC4_TXR/8QC4_TXR_ligand_start_conf.sdf
7S6V_8II,OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1,SMSLNAADAADERSRKEMDRFQVERMAGQGTFGTVQLGKEKSTGMSVAIKKVIQDPRFRNRELQIMQDLAVLHHPNIVQLQSYFYTLGERDRRDIYLNVVMEYVPDTLHRCCRNYYRRQVAPPPILIKVFLFQLIRSIGCLHLPSVNVCHRDIKPHNVLVNEADGTLKLCDFGSAKKLSPSEPNVAYICSRYYRAPELIFGNQHYTTSVDIWSVGCIFAEMMLGEPIFRGDNSAGQLHEIVRVLGCPSREVLRKLNPSHTDVDLYNSKGIPWSSVFCDHSLKDAKEAYDLLSALLQYLPEDRMKPYEALCHPYFDELHDSATKLPNNKDLPEDLFRFLPSEIEVMSEAQKAKLVRK,posex_set/posex_self_docking_set/7S6V_8II/7S6V_8II_protein.pdb,posex_set/posex_self_docking_set/7S6V_8II/7S6V_8II_ligand_start_conf.sdf
7FVW_IQH,O=C(O)c1csc(CCc2cccc(Cl)c2)n1,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_self_docking_set/7FVW_IQH/7FVW_IQH_protein.pdb,posex_set/posex_self_docking_set/7FVW_IQH/7FVW_IQH_ligand_start_conf.sdf
8EH0_QOX,[O-][n+]1cccc2ccccc21,MKGNFGPYGGQNVPEILMGALEELEAAYEGIMKDESFWKEYNDLLRDYAGRPTPLYFARRLSEKYGARVYLKREDLLHTGAHKINNAIGQVLLAKLMGKTRITAGTGAGQHGVATATAAALFGMECVIYMGEEDTIRQKLNVERMKLLGAKVVPVKSGSRTLKDAIDEALRDWITNLQTTYYVPGSVVGPHPYPIIVRNFQKVIGEETKKQIPEKEGRLPDYIVACVSGGSNAAGIFYPFIDSGVKLIGVEAGGEGLETGKHAASLLKGKIGYLHGSKTFVLQDDWGQVQASHSVSAGLDYPGVGPEHAYWRETGKVLYDAVTDEEALDAFIELSRLEGIIPALESSHALAYLKKINIKGKVVVVNLSGRGDKDLESVLNHPYVRERIHLEHHHHHH,posex_set/posex_self_docking_set/8EH0_QOX/8EH0_QOX_protein.pdb,posex_set/posex_self_docking_set/8EH0_QOX/8EH0_QOX_ligand_start_conf.sdf
7ROU_66I,Nc1ncnc2c1c(OC(F)F)nn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)[C@@H](O)[C@H]1O,GMGDAPSPEEKLHLITRNLQEVLGEEKLKEILKERELKIYWGTATTGKPHVAYFVPMSKIADFLKAGCEVTILFADLHAYLDNMKAPWELLELRVSYYENVIKAMLESIGVPLEKLKFIKGTDYQLSKEYTLDVYRLSSVVTQHDSKKAGAEVVKQVEHPLLSGLLYPGLQALDEEYLKVDAQFGGIDQRKIFTFAEKYLPALGYSKRVHLMNPMVPGLTGSKMSSSEEESKIDLLDRKEDVKKKLKKAFCEPGNVENNGVLSFIKHVLFPLKSEFVILRDEKWGGNKTYTAYVDLEKDFAAEVVHPGDLKNSVEVALNKLLDPIREKFNTPALKKLASAAYPDPSKQKPMAKGPAKNSEPEEVI,posex_set/posex_self_docking_set/7ROU_66I/7ROU_66I_protein.pdb,posex_set/posex_self_docking_set/7ROU_66I/7ROU_66I_ligand_start_conf.sdf
7XJM_SPD,NCCCCNCCCN,AMAKDQELYFYNWSEYIPSEVLEDFTKETGIKVIYSTYESNESMYAKLKTQGAGYDLVVPSTYFVSKMRKEGMLQEIDHSKLSHFKDLDPNYLNKPFDPGNKFSIPYIWGATGIGINTDMLDKKSLKNWGDLWDAKWAGQLMLMDDAREVFHIALSKLGYSPNTTNPKEIKAAYRELKKLMPNVLVFNSDFPANPYLAGEVSLGMLWNGSAYMARQEGAPIQIIWPEKGTIFWMDSISIPAGAKNIEAAHKMIDFLLRPENAAKIALEIGYPTPVKTAHDLLPKEFANDPSIYPPQSVIDNGEWQDEVGEASVLYDEYFQKLKVND,posex_set/posex_self_docking_set/7XJM_SPD/7XJM_SPD_protein.pdb,posex_set/posex_self_docking_set/7XJM_SPD/7XJM_SPD_ligand_start_conf.sdf
7Y9L_6VP,N#Cc1cc([N+](=O)[O-])ccc1O,AIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYLSSQRLIKEACDESRFDKNLSQALKFVRDFFGDGLFTSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDENKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTFPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPLGG,posex_set/posex_self_docking_set/7Y9L_6VP/7Y9L_6VP_protein.pdb,posex_set/posex_self_docking_set/7Y9L_6VP/7Y9L_6VP_ligand_start_conf.sdf
8CNR_MRD,C[C@@H](O)CC(C)(C)O,MRPSKMFCYQCQETAKNTGCTIIGVCGKKDNVANLQDLLVYTVKGLAVVRENLGYSNDKTDRYIVDALFTTITNVNFDDKDIIEKIKEGLALREEAASKSTCPGCGGDLPDCATWTADSDDEIIKKANSLEVSVLATENEDVRSLRELLTYGVKGIAAYLHHAMVLGYDNKDIHKFIRKALVATTDDSLSADELTALVLECGKYAVDTMALLDKANTETYGHPEITEVDIGVRNNPGILISGHDLKDLEQLLEQTKGTGVDVYTHSEMLPAHYYPAFKKYDHFVGNYGGSWWRQKEEFEAFNGPIVMTTNCLVPPAESYKDRIYTTGVVGFPGLKRIPEDENGNKDFSEVIEQAKKCAPPKQLETGKIVGGFAHNQVLALADKVVEAVKSGAIRKFVVMAGCDGRHPSREYYTEFAKKLPNDTVILTAGCAKYRYNKLGLGDIGGIPRVLDAGQCNDCYSLAVIALKLKEVFELDDINDLPIAFNVAWYEQKAVAVLLALLYLGVKDIVLGPTLPAFLSPNVAKVLVEKFGISGITTVDEDIERLINK,posex_set/posex_self_docking_set/8CNR_MRD/8CNR_MRD_protein.pdb,posex_set/posex_self_docking_set/8CNR_MRD/8CNR_MRD_ligand_start_conf.sdf
7ERD_JBO,Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F,MAVKKIAIFGATGQTGLTTLAQAVQAGYEVTVLVRDSSRLPSEGPRPAHVVVGDVLQAADVDKTVAGQDAVIVLLGTRNDLSPTTVMSEGARNIVAAMKAHGVDKVVACTSAFLLWDPTKVPPRLQAVTDDHIRMHKVLRESGLKYVAVMPPHIGDQPLTGAYTVTLDGRGPSRVISKHDLGHFMLRCLTTDEYDGHSTYPSHQYQ,posex_set/posex_self_docking_set/7ERD_JBO/7ERD_JBO_protein.pdb,posex_set/posex_self_docking_set/7ERD_JBO/7ERD_JBO_ligand_start_conf.sdf
7V8W_MLA,O=C(O)CC(=O)O,MGNAVVVKKDFRIDLENELFIRGEVTLVEDQIKKPVLVISHGFRGYKDWGFWPYVAAWFAERGFYVVHFDFSRVGALNSGADEASVQKLSTVSRELSDLDAILSNLREHRLPLAEQAETERISLLGHARAGGSNIIFAAEHSYIGSVIAWNGGPPPKAAAGNPNPFINDDVEHNKQRFDTARLLASLTAPVLIIQGGKDREALLEGQQLLKEAAPNQTYISIPDADHSFGGEHPFHHTTPYLEEALEVTHSFITKHYLEHHHHHH,posex_set/posex_self_docking_set/7V8W_MLA/7V8W_MLA_protein.pdb,posex_set/posex_self_docking_set/7V8W_MLA/7V8W_MLA_ligand_start_conf.sdf
7EJ3_DPO,O=P([O-])([O-])OP(=O)([O-])[O-],MSAESVAATPESAGGHIRLTSHSGGVGALPIHWGAPTASERGPVVGTTTNRAHRNVIGTHSGSYSIYRALAVASGALSRHHKADLTDTAPTNIIGPYPQWSQPGKIVSLDPWGATVAEVFAAELAAGHDIRPSIAVTKAHVILPEVMEAIQKGRLHPDGRFLLPSGAALVTKAAIEPVWHLPGVAERFHCSETDLRRVLFEETGGMYPELVTRSDLEVFLPPIGGQTVYIFGDARDLADPGVELTARVHDECNGSDVFGSDICTCRPYLTHAIEECIQGAQRGGVGLVAYSRKEGRALGEVTKFLVYNARKRQVGGDTADQYFARTECVAGVQDMRFQEMMPDVLHWLGVRKIHRLVSMSNMKYDAITGSGIEVVERVDLPADLIPADARVEIDAKMAAGYFTPGAVPDADELAKVKGRELDG,posex_set/posex_self_docking_set/7EJ3_DPO/7EJ3_DPO_protein.pdb,posex_set/posex_self_docking_set/7EJ3_DPO/7EJ3_DPO_ligand_start_conf.sdf
8F81_XJN,CCCCCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)O,MAHHHHHHMTSVGLIWAQSTSGVIGRDGGIPWRLPEDLAHFKRLTMGHTVVMGRRTWDSLPAAHRPLPGRRNVVVTRQTGLVAHGAQVVGSLEQALSPAEPDAATWVIGGAQIYALALPLANRCEVTEVDVDLPPEDEDALAPVLDQTWAGTSGEWLVSRSGLRYRMHSYRRL,posex_set/posex_self_docking_set/8F81_XJN/8F81_XJN_protein.pdb,posex_set/posex_self_docking_set/8F81_XJN/8F81_XJN_ligand_start_conf.sdf
7VWF_K55,CCCCOc1ccc(C[C@H](CC)C(=O)O)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F,GSHMPQVADLKAFSKHIYNAYLKNFNMTKKKARSILTGKASHTAPFVIHDIETLWQAEKGLVWKQLVNGLPPYKEISVHVFYRCQCTTVETVRELTEFAKSIPSFSSLFLNDQVTLLKYGVHEAIFAMLASIVNKDGLLVANGSGFVTREFLRSLRKPFSDIIEPKFEFAVKFNALELDDSDLALFIAAIILCGDRPGLMNVPRVEAIQDTILRALEFHLQANHPDAQYLFPKLLQKMADLRQLVTEHAQMMQRIKKTETETSLHPLLQEIYKDMY,posex_set/posex_self_docking_set/7VWF_K55/7VWF_K55_protein.pdb,posex_set/posex_self_docking_set/7VWF_K55/7VWF_K55_ligand_start_conf.sdf
8K5I_GS1,OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1O,GAGAGAGAGAGMDSTLPVYSVAGAPEALALRAGPPASVRAALLAARRRTLDLADDFRAALGDAYPGIGYAPELNPPLWELGHVAWFQEWWIGRNRQRARGVACEPDHAREPSLLPQADAWYDSGRVAHRTRWALPLPDAEATRDYLERTLAQTLALLDELPPDAHDDALYFFRLVALHEAMHAEAAAYMAEGLGIALREGGVAPQLAEDAELELPAQRLRMGSDAGTGFAFDNELLSHDVSIEPLRIDAQAVSWARFLPFVEAGGYEHPAWWSDAGRDWLARQLLRHPAHLRAAGTGWQQRRGGRWLPLDPQGAAVHLNAHEAEAWCRWAGRRLPTEAEWECAALTLPGFAWGRVWEWTSSPFEPYPGFAPHPYRDYSAPWFGTRRVLRGACHATSAALAHARYRNFFEPHRRDIFAGFRSCRAPGG,posex_set/posex_self_docking_set/8K5I_GS1/8K5I_GS1_protein.pdb,posex_set/posex_self_docking_set/8K5I_GS1/8K5I_GS1_ligand_start_conf.sdf
7PUU_84O,COC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1SC1CCCCC1,MSKWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFNPSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQ,posex_set/posex_self_docking_set/7PUU_84O/7PUU_84O_protein.pdb,posex_set/posex_self_docking_set/7PUU_84O/7PUU_84O_ligand_start_conf.sdf
7WC3_8QU,O=C(O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c3nonc23)C1,MCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_self_docking_set/7WC3_8QU/7WC3_8QU_protein.pdb,posex_set/posex_self_docking_set/7WC3_8QU/7WC3_8QU_ligand_start_conf.sdf
9DT7_HSX,O=P(O)(O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O,MAHHHHHHMSKPTQQGITFSKNDVEIIARETLYRGFFSLDLYRFRHRLFNGGMSGEITREIFERGHAAVLLPFDPVRDEVVLVEQIRIAAYDTSESPWLLEMVAGMIEAGETVEDVARREALEEAGLEVGRTKPILSYLASPGGTSERLSILVGEVDASTAKGIHGLAEENEDIRVHVVSREQAYQWVEEGKIDNAASVIALQWLQLHYHNLRNEWTK,posex_set/posex_self_docking_set/9DT7_HSX/9DT7_HSX_protein.pdb,posex_set/posex_self_docking_set/9DT7_HSX/9DT7_HSX_ligand_start_conf.sdf
8JBN_U7C,O=C(O)c1cc(-c2c[nH]c3ccccc23)on1,GPLGSPGIPNQFEGHFMKLQADSNYLLSKEYEELKDVGRNQSCDIALLPENRGKNRYNNILPYDATRVKLSNVDDDPCSDYINASYIPGNNFRREYIVTQGPLPGTKDDFWKMVWEQNVHNIVMVTQCVEKGRVKCDHYWPADQDSLYYGDLILQMLSESVLPEWTIREFKICGEEQLDAHRLIRHFHYTVWPDHGVPETTQSLIQFVRTVRDYINRSPGAGPTVVHCSAGVGRTGTFIALDRILQQLDSKDSVDIYGAVHDLRLHRVHMVQTECQYVYLHQCVRDVLRARKLRS,posex_set/posex_self_docking_set/8JBN_U7C/8JBN_U7C_protein.pdb,posex_set/posex_self_docking_set/8JBN_U7C/8JBN_U7C_ligand_start_conf.sdf
8HGB_L6X,COc1ccc(C(=O)O)cc1O,MGMISNSSAESISAPPNDSTIPHLAIDPFSLDFFDDPYPDQQTLRDAGPVVYLDKWNVYGVARYAEVHAVLNDPTTFCSSRGVGLSDFKKEKPWRPPSLILEADPPAHTRPRAVLSKVLSPATMKTIRDGFAAAADAKVDELLQRGCIDAIADLAEAYPLSVFPDAMGLKQEGREHLLPYAGLVGNAFGPPNELRQTAIERSAPHQAYVNEQCQRPNLAPGGFGACIHAFTDTGEITPDEAPLLVRSLLSAGLDTTVNGIGAAVYCLARFPGELQRLRSDPTLARNAFEEAVRFESPVQTFFRTTTREVELGGAVIGEGEKVLMFLGSANRDPRRWSDPDLYDITRKTSGHVGFGSGVHMCVGQLVARLEGEVMLSALARKVAAIDIDGPVKRRFNNTLRGLESLPVKLTPALEHHHHHH,posex_set/posex_self_docking_set/8HGB_L6X/8HGB_L6X_protein.pdb,posex_set/posex_self_docking_set/8HGB_L6X/8HGB_L6X_ligand_start_conf.sdf
7FCB_OGA,O=C(O)CNC(=O)C(=O)O,MPQLHYVPYDTPVEDVMRILKESGTLVIRNFLDQNTVQKVQDEVDDYVRNWNPGPGSKTKQPSNLSLMSKTYRCEVLNHPWMHAICERMFGPTYGDYWFNGGSILHLEPGENTQPIHQDHVFYQISKWRRPTDPDLTINFTMALTEFTVENGGTRVCPGSHLWENGHASPAEEDMVPVLMQPGDALILPGSMWHSAGANRTSEYRRGFATSFHPCHFTPIESHHHLPREMVEEMTPLVQKMLGFRTLNLHNNVKVWKAGEGNLEDATGLKSVAAKLAAALEHHHHHH,posex_set/posex_self_docking_set/7FCB_OGA/7FCB_OGA_protein.pdb,posex_set/posex_self_docking_set/7FCB_OGA/7FCB_OGA_ligand_start_conf.sdf
8AY3_OE3,CCn1c(=O)cc(C)c2cc(CNS(=O)(=O)c3ccccc3)ccc21,MNNNKAEADTSSSMADPETRPTYTTHHLAIPSGVTQDEFDELKQSVVEFHTYQLSQNQCSSLLAQRIRAPNDVVWSIVRRFDQPQTYKHFIKSCSVSDNFTMAVGSTRDVNVISGLPAATSTERLDILDDDRQVTGFSIIGGEHRLRNYRSVTSVHGFNRDGAICTVVLESYVVDVPEGNTEEDTRLFADTVVKLNLQKLVSVAESQVI|RSVYELDCIPLWGVVSIQGNRSEMEDAFAVSPHFLKLPIKMLMGDHAGMSPSLTHLTGHFFGVYDGHGGHKVADYCRDRLHFALAEEIERIKDELCKRNTGEGRQVQWDKVFTSCFLTVDGEIEGKIGRAVVGSSDKVLEAVASETVGSTAVVALVCSSHIVVSNCGDSRAVLFRGKEAMPLSVDHKPDREDEYARIENAGGKVIQWQGARVFGVLAMSRSIGDRYLKPYVIPEPEVTFMPRSREDECLILASDGLWDVMNNQEVCEIARRRILMWHKKNGAPPLAERGKGIDPACQAAADYLSMLALQKGSKDNISIIVIDLKAQRKFKTRT,posex_set/posex_self_docking_set/8AY3_OE3/8AY3_OE3_protein.pdb,posex_set/posex_self_docking_set/8AY3_OE3/8AY3_OE3_ligand_start_conf.sdf
7E46_98B,C[C@H](N)c1ccccc1,MTIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLFTSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDENKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPL,posex_set/posex_self_docking_set/7E46_98B/7E46_98B_protein.pdb,posex_set/posex_self_docking_set/7E46_98B/7E46_98B_ligand_start_conf.sdf
8P8Z_X6U,CC(C)c1cccc2c(-c3ccc(CS(C)(=O)=O)c(C#N)c3)c(C(=O)O)[nH]c12,MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE,posex_set/posex_self_docking_set/8P8Z_X6U/8P8Z_X6U_protein.pdb,posex_set/posex_self_docking_set/8P8Z_X6U/8P8Z_X6U_ligand_start_conf.sdf
8GDI_0GV,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,GLLPRVNGTPPPEVPLADIELGSLEFWGRDDDFRDGAFATLRREAPISFWPPIELAGLTAGKGHWALTKHDDIHFASRHPEIFHSSPNIVIHDQTPELAEYFGSMIVLDDPRHQRLRSIVSRAFTPKVVARIEASVRERAHRLVAAMIENHPDGQADLVSELAGPLPLQIICDMMGIPEEDHEQIFHWTNVILGFGDPDLTTDFDEFLQVSMAIGGYATALADDRRVNHHGDLTTSLVEAEVDGERLSSSEIAMFFILLVVAGNETTRNAISHGMLALSRYPDERAKWWSDFDGLAATAVEEIVRWASPVVYMRRTLSQDVDLRGTKMAAGDKVTLWYCSANRDEEKFADPWTFDVTRNPNPQVGFGGGGAHFCLGANLARREIRVVFDELRRQMPDVVATEEPARLLSQFIHGIKRLPVAWS,posex_set/posex_self_docking_set/8GDI_0GV/8GDI_0GV_protein.pdb,posex_set/posex_self_docking_set/8GDI_0GV/8GDI_0GV_ligand_start_conf.sdf
7U70_LW0,O=C(N[C@@H]1C[C@H](c2nnn[nH]2)c2ccccc21)c1cccc(F)c1,QTSAVQQKLAALEKSSGGRLGVALIDTADNTQVLYRGDERFPMCSTSKVMAAAAVLKQSETQKQLLNQPVEIKPADLVNYNPIAEKHVNGTMTLAELSAAALQYSDNTAMNKLIAQLGGPGGVTAFARAIGDETFRLDRTEPTLNTAIPGDPRDTTTPRAMAQTLRQLTLGHALGETQRAQLVTWLKGNTTGAASIRAGLPTSWTVGDKTGSGDYGTTNDIAVIWPQGRAPLVLVTYFTQPQQNAESRRDVLASAARIIAEGL,posex_set/posex_self_docking_set/7U70_LW0/7U70_LW0_protein.pdb,posex_set/posex_self_docking_set/7U70_LW0/7U70_LW0_ligand_start_conf.sdf
8A0S_KOX,O=C1N=CCC(SCc2ccccc2Cl)=N1,GSHMGASRLYTLVLVLQPQRVLLGMKKRGFGAGRWNGFGGKVQEGETIEDGARRELQEESGLTVDALHKVGQIVFEFVGEPELMDVHVFCTDSIQGTPVESDEMRPCWFQLDQIPFKDMWPDDSYWFPLLLQKKKFHGYFKFQGQDTILDYTLREVDTV,posex_set/posex_self_docking_set/8A0S_KOX/8A0S_KOX_protein.pdb,posex_set/posex_self_docking_set/8A0S_KOX/8A0S_KOX_ligand_start_conf.sdf
8OZ8_NM2,C[N+](C)(C)CCCC(=O)O,MEIKRVGSQASGKGPADWFTGTVRIDPLFQAPDPALVAGASVTFEPGARTAWHTHPLGQTLIVTAGCGWAQREGGAVEEIHPGDVVWFSPGEKHWAGAAPTTAMTHLAIQERLDGKAVDWMEHVTDEQYRR,posex_set/posex_self_docking_set/8OZ8_NM2/8OZ8_NM2_protein.pdb,posex_set/posex_self_docking_set/8OZ8_NM2/8OZ8_NM2_ligand_start_conf.sdf
7UGH_2PG,O=C(O)[C@@H](CO)OP(=O)(O)O,MAHHHHHHQKLVEDALNECYNANASDPVGFLGHFFLNRGKKGAVNRVDKLVGREILDSRGNPTVEVDVYANGQKRPVATASAPSGASTGSNEAHELRDGDKSRYLGKGVLKAVKNVNDVLGKAVEGKSLENLTELDQALIDADGDELKSNLGGNAITACSFALATAGAAVRNEELFLYLARAFHGADKFENLKFRLPTPMVNILNGGKHAGGRLQIQEFMILPKENQPFREKVRCVAEVYQHLGKILAERAGPSAKNVGDEGGFAPNLETADEALNYIEEAIGKAGYKVGEDVFLALDAASSEFYNSDTKKYEITQQKEFLTSEEMVEYYVQLVNRHPAIISIEDGLEEKDYEGWKLLTERLGSKIMLVGDDLYTTNTRLIKQGIEEKWANALLLKVNQIGTITEAMNAARMIFNVGQKVIVSHRSGETATTLISDLVVGIGATHIKTGATARGERVSKYNRLLQIEEYLEQHGLLA,posex_set/posex_self_docking_set/7UGH_2PG/7UGH_2PG_protein.pdb,posex_set/posex_self_docking_set/7UGH_2PG/7UGH_2PG_ligand_start_conf.sdf
8PQ9_9JI,Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1,GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH,posex_set/posex_self_docking_set/8PQ9_9JI/8PQ9_9JI_protein.pdb,posex_set/posex_self_docking_set/8PQ9_9JI/8PQ9_9JI_ligand_start_conf.sdf
8XJQ_4NS,O=[N+]([O-])c1ccc(OS(=O)(=O)O)cc1,MATVDRYLRQPWSVVHGIPMVCAFAPNWERVDNFQSRPEDIVVATFPKSGTTWVSEIVDMILQGGDPEKCKRDAIVNRVPMLEFAAPGEMPTGSEVLATMPSPRVVKSHLPAHILPKSFWDNGCKIIYVGRNAKDVAVSFYHFDLMNKFEQHPGTWDQYLEAFMAGKVAYGSWFDHVRGYWERRQEHPILYLFYEDMKEDLRREITKVAQFLGQELTEVALDAIAHHTSFEAMRDNPSTNYSTVPSHLMDHGVSPFMRKGITGDWKNHFTVAQNAHFDQYYAQKMAGTDLRFRTEI,posex_set/posex_self_docking_set/8XJQ_4NS/8XJQ_4NS_protein.pdb,posex_set/posex_self_docking_set/8XJQ_4NS/8XJQ_4NS_ligand_start_conf.sdf
8CKQ_UZX,NC(=O)c1ccccc1NC(=O)Nc1cc(Cl)cc(Cl)c1,MTRCLMFTLLFLVSSLISTVGLPVEPPAELLQLGGGDVGGGRLSVDASDIAEASRDFGGVARAEPMAVFHPRAAGDVAGLVGAAFRSARGFRVSARGHGHSISGQAQAAGGVVVDMSRGRGPGAAVARALPVHSAALGGHYVDVWGGELWVDVLNWTLSHGGLAPRSWTDYLYLSVGGTLSNAGISGQAFHHGPQISNVYELDVVTGKGEVVTCSETENPDLFFGVLGGLGQFGIITRARIALERAPKRVRWIRALYSNFSEFTADQERLISLGSGGGRRFDYVEGFVVAAEGLINNWRSSFFSPQNPVKLTSLKHHSSVLYCLEVTKNYDDETAGSVDQDVDTLLGELNFLPGTVFTTDLPYVDFLDRVHKAELKLRAKGMWEVPHPWLNLFVPASRIADFDRGVFRGVLGGRTAGAGGPVLIYPMNKHKWDPRSSAVTPDEEVFYLVAFLRSALPGAPESLEALARQNQRILDFCAGTGIGAKQYLPGHKARHEWAEHFGAARWDRFARLKAEFDPRAILAAGQGIFRPPGSPALAADS,posex_set/posex_self_docking_set/8CKQ_UZX/8CKQ_UZX_protein.pdb,posex_set/posex_self_docking_set/8CKQ_UZX/8CKQ_UZX_ligand_start_conf.sdf
8AZN_RVK,CO[C@H]1O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,GPMDGEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLEMKSEK,posex_set/posex_self_docking_set/8AZN_RVK/8AZN_RVK_protein.pdb,posex_set/posex_self_docking_set/8AZN_RVK/8AZN_RVK_ligand_start_conf.sdf
8U2D_UQX,CNC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)[C@@H](Cc1cccc(C)c1)NC(=O)c1ccc2[nH]ncc2c1,GLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEE,posex_set/posex_self_docking_set/8U2D_UQX/8U2D_UQX_protein.pdb,posex_set/posex_self_docking_set/8U2D_UQX/8U2D_UQX_ligand_start_conf.sdf
9GGJ_FUM,O=C(O)/C=C/C(=O)O,SNAKEVKLWGGRFEESVTEKVEKFTESISFDKVLYKQDIMGSKAHASMLAHQGLITDSDKDSILRGLDDIERQIEANKFEWRTDREDVHMNIEAALTDLIGEPAKKLHTARSRNDQVATDFRLWCRDAIDTIIVKIRNLQRALVELALKNEALIVPGYTHLQRAQPVLLPHVLLTFVEQLERDAGRYVDCRARLNFSPLGACALAGTGLPIDRFMTANALGFTEPMRNSIDAVSDRDFVLEFLYTNANTGIHLSRLGEEWVLWASEEFGFMTPSDSVSTGSSIMPQKKNPDPMELVRGKSARVIGDLVTVLTLCKGLPLAYNRDFQEDKEPMFDSTKTIMGMIDVSAEFAQNVTFNEDRIKKSLPAGHLDATTLADYLVKKGMPFRSSHDIVGKLVGVCVSKGCELQNLSLEEMKKLSPVFEEDVFGFLGVENSVNKFSSYGSTGSNCVAEQLGYWVNKLNITST,posex_set/posex_self_docking_set/9GGJ_FUM/9GGJ_FUM_protein.pdb,posex_set/posex_self_docking_set/9GGJ_FUM/9GGJ_FUM_ligand_start_conf.sdf
7A4Q_QY2,CO/N=C1/NC(=O)C(Cc2ccc3ncccc3c2)=[SH]1,GPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK,posex_set/posex_self_docking_set/7A4Q_QY2/7A4Q_QY2_protein.pdb,posex_set/posex_self_docking_set/7A4Q_QY2/7A4Q_QY2_ligand_start_conf.sdf
5SAU_1IF,Nc1ccc(C#Cc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cn1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_self_docking_set/5SAU_1IF/5SAU_1IF_protein.pdb,posex_set/posex_self_docking_set/5SAU_1IF/5SAU_1IF_ligand_start_conf.sdf
7DKM_NAD,NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,MANLRKVLISDSLDPCCRKILQDGGLQVVEKQNLSKEELIAELQDCEGLIVRSATKVTADVINAAEKLQVVGRAGTGVDNVDLEAATRKGILVMNTPNGNSLSAAELTCGMIMCLARQIPQATASMKDGKWERKKFMGTELNGKTLGILGLGRIGREVATRMQSFGMKTIGYDPIISPEVSASFGVQQLPLEEIWPLCDFITVHTPLLPSTTGLLNDNTFAQCKKGVRVVNCARGGIVDEGALLRALQSGQCAGAALDVFTEEPPRDRALVDHENVISCPHLGASTKEAQSRCGEEIAVQFVDMVKLEHHHHHH,posex_set/posex_self_docking_set/7DKM_NAD/7DKM_NAD_protein.pdb,posex_set/posex_self_docking_set/7DKM_NAD/7DKM_NAD_ligand_start_conf.sdf
8V9B_A1AAM,O=C(Nc1cccc(C[C@H](C(=O)O)[C@H]2CCNC2)c1)Nc1cccc(C[C@H](C(=O)O)[C@H]2CCNC2)c1,MAPTEQSPTVQDCYHGDGQSYRGSFSTTVTGRTCQSWSSMTPHWHQRTTEYYPNGGLTRNYCRNPDAEIRPWCYTMDPSVRWEYCNLTQCPVMEST,posex_set/posex_self_docking_set/8V9B_A1AAM/8V9B_A1AAM_protein.pdb,posex_set/posex_self_docking_set/8V9B_A1AAM/8V9B_A1AAM_ligand_start_conf.sdf
7ED1_COA,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS,TDSLLSLVLPDRVASAEVYDDPPGLSPLPEEEPLIARSVAKRRNEFVTVRYCARQALGELGVGPVPILKGDKGEPCWPDGVVGSLTHCQGFRGAVVGRSTDVRSVGIDAEPHDVLPNGVLDAITLPIERAELRGLPGDLHWDRILFCAKEATYKAWYPLTHRWLGFEDAHITFEVDGSGTAGSFRSRILIDPVAEHGPPLTALDGRWSVRDGLAVTAIVLLEH,posex_set/posex_self_docking_set/7ED1_COA/7ED1_COA_protein.pdb,posex_set/posex_self_docking_set/7ED1_COA/7ED1_COA_ligand_start_conf.sdf
8WTQ_KUO,COc1ccccc1[C@H]1OCCCN(C(=O)N2CCC(CC(=O)O)CC2)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21,MDQDSLSSSLKTCYKYLNQTSRSFAAVIQALDGEMRNAVCIFYLVLRALDTLEDDMTISVEKKVPLLHNFHSFLYQPDWRFMESKEKDRQVLEDFPTISLEFRNLAEKYQTVIADICRRMGIGMAEFLDKHVTSEQEWDKYCHYVAGLVGIGLSRLFSASEFEDPLVGEDTERANSMGLFLQKTNIIRDYLEDQQGGREFWPQEVWSRYVKKLGDFAKPENIDLAVQCLNELITNALHHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNQQVFKGAVKIRKGQAVTLMMDATNMPAVKAIIYQYMEEIYHRIPDSDPSSSKTRQIISTIRTQN,posex_set/posex_self_docking_set/8WTQ_KUO/8WTQ_KUO_protein.pdb,posex_set/posex_self_docking_set/8WTQ_KUO/8WTQ_KUO_ligand_start_conf.sdf
8OI9_PIN,O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1,MSIKCALDCDPGHDDLAMIMLAVYSPKLDVQYISTTHGNQTVNKTYQNARRTLNLIKRADKIPVYRGYSKPLTRESVACPEIHGESGLGGVDWSEIDRTMPRNPALDILGYKDESELRPDDFFKHLHRLVSAAEDKFDIISTGSETNIAQYLLAYPEDAKKIRMTTMAGNFMIVGNIMPFAEFNVLIDPEAISNILQSGVDYTFAAPLDITHTVLVTEKVINDIKAATEPYSPKFTEMIIKLLFFFKDTYRDVFGFIDPPLHDPVAAFHLIAPEWFEHVRCHVDIETKGEYTYGCCCTNLILKKKDPTKIVKPDNATVCLKLKEGGHDAFWNQMITVWGEIAKEIGK,posex_set/posex_self_docking_set/8OI9_PIN/8OI9_PIN_protein.pdb,posex_set/posex_self_docking_set/8OI9_PIN/8OI9_PIN_ligand_start_conf.sdf
8AO6_N9F,CC(=O)NCc1ccc2[nH]ncc2c1,MAHHHHHHMAAAAAAGAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS,posex_set/posex_self_docking_set/8AO6_N9F/8AO6_N9F_protein.pdb,posex_set/posex_self_docking_set/8AO6_N9F/8AO6_N9F_ligand_start_conf.sdf
7SS6_BKB,O=C(CCCCNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cc(Cl)cc(C(F)(F)F)c4)CC3)ccc21)NO,MATLFIADLHLQTEEPAITAGFLRFLQGEARQADALYILGDLFEAWIGDDDPNPLHQQIASAIKAVVDAGVPCYFIHGNRDFLVGQRFARQSGMILLAEEERLDLYGREVLIMHGDTLCTDDQGYLAFRAKVHTPWIQRLFLALPLFIRHRIAARMRADSKAANSSKSMEIMDVNPQAVVDAMERHHVQWLIHGHTHRPAVHELQANGQPAWRVVLGAWHSEGSMVKVTPDDVELIHFPFLEENLYFQSHHHHHHHHHH,posex_set/posex_self_docking_set/7SS6_BKB/7SS6_BKB_protein.pdb,posex_set/posex_self_docking_set/7SS6_BKB/7SS6_BKB_ligand_start_conf.sdf
7MWN_WI5,Cc1c(C(=O)c2cccc3ccccc23)c2cccc3c2n1[C@H](CN1CCOCC1)CO3,MSSSPAVKGLTDEEQKTLEPVIKTYHQFEPDPTTCTSLITQRIHAPASVVWPLIRRFDNPERYQHFVKRCRLISGDGDVGSVREVTVISGLPASTSTERLEFVDDDHRVLSFRVVGGEHRLKNYKSVTSVNEFLNQDSGKVYTVVLESYTVDIPEGNTEEDTKMAIDTVVKLNLQKLGVAATSAPMHDDE|RSVYELDSIPLWGTVSIQGNASEMEAAFAVVPHFLKLPIKMLMGDHEGMSPSLTHLTGHFFGVYDGHGGSKVADYCRDRLHEALAEEIERIKDELSKRNTGEGRQVQWKKVFTNCFLTVDGEIEGKIGRAVVGSSDKVLEAVASETVGSTAVVALVCSSHIVVANCGDSRAVLFRGKEAIPLSVDHKPDREDEYARIEAAGGKVIQWQGARVFGVLAMSRSIGDRYLKPYVIPEPEVTFMPRSEEDECLILASDGLWDVMSNQEVCEIARRRILMWHKKNGAPPLAERGKGIDPACQAAADYLSKLALQKGSKDNISIIVIDLKAQRKFKTRT,posex_set/posex_self_docking_set/7MWN_WI5/7MWN_WI5_protein.pdb,posex_set/posex_self_docking_set/7MWN_WI5/7MWN_WI5_ligand_start_conf.sdf
8JM3_FQ6,O=Cc1ccc2c(c1)COCO2,IDHHHHHHLANTSAHDFSYLKFVYNATDTSLEGSYDYIVIGGGTSGCPLAATLSEKYKVLLLERGTIATEYPNTLTADGFAYNLQQQDDGKTPVERFVSEDGIDNVRARILGGTTIINAGVYARANISFYSQTGIEWDLDLVNKTYEWVEDAIVVKPNNQSWQSVIGEGFLEAGILPDNGFSLDHEAGTRLTGSTFDNNGTRHAADELLNKGDPNNLLVAVQASVEKILFSSNTSNLSAIGVIYTDSDGNSHQAFVRGNGEVIVSAGTIGTPQLLLLSGVGPESYLSSLNITVVQPNPYVGQFVYDNPRNFINILPPNPIEASVVTVLGIRSDYYQVSASSLPFSTPPFSLFPTTSYPLPNSTFAHIVSQVPGPLSHGSVTLNSSSDVRIAPNIKFNYYSNSTDLANCVSGMKKLGDLLRTKALEPYKARDVLGIDGFNYLGVPLPENQTDDASFETFCLDNVASYWHYHGGSLVGKVLDDSFRVMGIKALRVVDASTFPYEPNSHPQGFYLMLGRYVGLQILQERSIRLEAIHNIQESM,posex_set/posex_self_docking_set/8JM3_FQ6/8JM3_FQ6_protein.pdb,posex_set/posex_self_docking_set/8JM3_FQ6/8JM3_FQ6_ligand_start_conf.sdf
8GEZ_ZMB,COC(=O)[C@@H](C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_self_docking_set/8GEZ_ZMB/8GEZ_ZMB_protein.pdb,posex_set/posex_self_docking_set/8GEZ_ZMB/8GEZ_ZMB_ligand_start_conf.sdf
7ZSF_45D,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)CCC2(C)C)C(C)(C)CCC1=O,MGSSHHHHHHMPFTIDSARGIFPNTLAADVVPATIARFSQLNAEDQLALIWFAYLEMGKTLTIAAPGAASMQLAENALKEIQAMGPLQQTQAMCDLANRADTPLCRTYASWSPNIKLGFWYRLGELMEQGFVAPIPAGYQLSANANAVLATIQGLESGQQITVLRNAVVDMGFTAGKDGKRIAEPVVPPQDTASRTKVSIEGVTNATVLNYMDNLNANDFDTLIELFTSDGALQPPFQRPIVGKENVLRFFREECQNLKLIPERGVTEPAEDGFTQIKVTGKVQTPWFGGNVGMNIAWRFLLNPEGKIFFVAIDLLASPKELLNFAR,posex_set/posex_self_docking_set/7ZSF_45D/7ZSF_45D_protein.pdb,posex_set/posex_self_docking_set/7ZSF_45D/7ZSF_45D_ligand_start_conf.sdf
7F21_FMN,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C,EYNAPSEIKYIDVVNTYDLEEEASKVVPHGGFNYIAGASGDEWTKRANDRAWKHKLLYPRLAQDVEAPDTSTEILGHKIKAPFIMAPIAAHGLAHTTKEAGTARAVSEFGTIMSISAYSGATFEEISEGLNGGPRWFQIYMAKDDQQNRDILDEAKSDGATAIILTADSTNRDYPFGMPIVQRYLRGTAEGMYGASKQKISPRDIEEIAAHSGLPVFVKGIQHPEDADMAIKRGASGIWVSNHGARQLYEAPGSFDTLPAIAERVNKRVPIVFDSGVRRGEHVAKALASGADVVALGRPVLFGLALGGWQGAYSVLDYFQKDLTRVMQLTGSQNVEDLKGLDLFDNPYGYEYEYNAPSEIKYIDVVNTYDLEEEASKVVPHGGFNYIAGASGDEWTKRANDRAWKHKLLYPRLAQDVEAPDTSTEILGHKIKAPFIMAPIAAHGLAHTTKEAGTARAVSEFGTIMSISAYSGATFEEISEGLNGGPRWFQIYMAKDDQQNRDILDEAKSDGATAIILTADSTVSGNRDRDVKNKFVYPFGMPIVQRYLRGTAEGMSLNNIYGASKQKISPRDIEEIAAHSGLPVFVKGIQHPEDADMAIKRGASGIWVSNHGARQLYEAPGSFDTLPAIAERVNKRVPIVFDSGVRRGEHVAKALASGADVVALGRPVLFGLALGGWQGAYSVLDYFQKDLTRVMQLTGSQNVEDLKGLDLFDNPYGYEY,posex_set/posex_self_docking_set/7F21_FMN/7F21_FMN_protein.pdb,posex_set/posex_self_docking_set/7F21_FMN/7F21_FMN_ligand_start_conf.sdf
7TBU_S3P,O=C(O)C1=C[C@@H](OP(=O)(O)O)[C@@H](O)[C@H](O)C1,TDEVLVHPFTNPPKENIIVPPGSKSISNRALILAALGNGTVRVKNLLHSDDTKHMLDAVASLKGAEISTEDNGETIVVKGNGGNLVTSGEELYLGNAGTASRFLTTVASLVGKSQASDDVILTGNARMQERPIGPLVDALRSNGSEIEYLNKQGSLPLKISAGNGLKGGRIELAATISSQYVSSILMCAPYAKEPVTLALVGGKPISQLYIDMTCAMMKSFGIEVTKSTTEEYTYHIPKGTYKNPSEYVIESDASSATYPLAFAAMTGTSCTIPNIGSSSLQGDAKFAVDVLKPMGCKVEQTTTSTTVTGPPRGHLKPLPHVDMEPMTDAFLTASVVAAVAKGGSSTSITGIANQRVKECNRIEAMVTELAKFGVPANELPDGIEIHGIDIEDLKTPEISKRGVSSYDDHRVAMSFSLLAGLCKEPVLILERSTTGKTWPGWWDILHSKFKIELDGYE,posex_set/posex_self_docking_set/7TBU_S3P/7TBU_S3P_protein.pdb,posex_set/posex_self_docking_set/7TBU_S3P/7TBU_S3P_ligand_start_conf.sdf
7Q8Y_9IV,Clc1ccccc1Oc1ccc(Nc2ncnc3[nH]ccc23)cc1,SMSGGGEQPDILSVGILVKERWKVLRKIGGGGFGEIYDALDMLTRENVALKVESAQQPKQVLKMEVAVLKKLQGKDHVCRFIGCGRNDRFNYVVMQLQGRNLADLRRSQSRGTFTISTTLRLGRQILESIESIHSVGFLHRDIKPSNFAMGRFPSTCRKCYMLDFGLARQFTNSCGDVRPPRAVAGFRGTVRYASINAHRNREMGRHDDLWSLFYMLVEFVVGQLPWRKIKDKEQVGSIKERYDHRLMLKHLPPEFSIFLDHISSLDYFTKPDYQLLTSVFDNSIKTFGVIESDPFDWEK,posex_set/posex_self_docking_set/7Q8Y_9IV/7Q8Y_9IV_protein.pdb,posex_set/posex_self_docking_set/7Q8Y_9IV/7Q8Y_9IV_ligand_start_conf.sdf
8SLG_G5A,NCC(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,MAHHHHHHMGTLEAQTQGPGSMASIIDTVANLAKRRGFVYQSGEIYGGTRSAWDYGPLGVELKENIKRQWWKSMVTAREDVVGIDTSIILPREVWVASGHVDVFHDPLVECLNCHRRHRQDHLQEALAGKKGLDNPDDVPMDEVVCPDCGTKGRWTEPREFNMMLKTYLGPIESDEGLHYLRPETAQGIFTNFANVVTTARKKPPFGIAQTGKSFRNEITPGNFIFRTREFEQMEMEFFVEPSTAKEWHQYWIDTRLQWYVDLGIDRDNLRLYEHPPEKLSHYAERTVDIEYKYGFAGDPWGELEGIANRTDFDLSTHSKHSGVDLSYYDQATDTRYVPYVIEPAAGLTRSLMAFLIDAYSEDEAPNAKGGVDKRTVLRFDPRLAPVKVAVLPLSRHADLSPKARDLAAELRQHWNVEFDDAGAIGRRYRRQDEVGTPYCVTVDFDSLEDNAVTVRERDSMAQERISIDQVTDYLAVRLKGC,posex_set/posex_self_docking_set/8SLG_G5A/8SLG_G5A_protein.pdb,posex_set/posex_self_docking_set/8SLG_G5A/8SLG_G5A_ligand_start_conf.sdf
7F51_BA7,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@@H]2O)[C@@H](O)[C@H]1O,TEMSVRKIAAHMKSNPNAKVIFMVGAGISTSCGIPDFRSPGTGLYHNLARLKLPYPEAVFDVDFFQSDPLPFYTLAKELYPGNFRPSKFHYLLKLFQDKDVLKRVYTQNIDTLERQAGVKDDLIIEAHGSFAHCHCIGCGKVYPPQVFKSKLAEHPIKDFVKCDVCGELVKPAIVFFGEDLPDSFSETWLNDSEWLREKITTSGKHPQQPLVIVVGTSLAVYPFASLPEEIPRKVKRVLCNLETVGDFKANKRPTDLIVHQYSDEFAEQLVEELGWQEDFEKILTAQ,posex_set/posex_self_docking_set/7F51_BA7/7F51_BA7_protein.pdb,posex_set/posex_self_docking_set/7F51_BA7/7F51_BA7_ligand_start_conf.sdf
9BCA_A1APS,O=C(O)CNC(=O)Cc1csc(-c2ccc3ccccc3c2)n1,GSGPAFESYESMELACPAERSGHVAVSDGRHMFVWGGYKSNQVRGLYDFYLPREELWIYNMETGRWKKINTEGDVPPSMSGSCAVCVDRVLYLFGGHHSRGNTNKFYMLDSRSTDRVLQWERIDCQGIPPSSKDKLGVWVYKNKLIFFGGYGYLPEDKVLGTFEFDETSFWNSSHPRGWNDHVHILDTETFTWSQPITTGKAPSPRAAHACATVGNRGFVFGGRYRDARMNDLHYLNLDTWEWNELIPQGICPVGRSWHSLTPVSSDHLFLFGGFTTDKQPLSDAWTYCISKNEWIQFNHPYTEKPRLWHTACASDEGEVIVFGGCANNLLVHHRAAHSNEILIFSVQP,posex_set/posex_self_docking_set/9BCA_A1APS/9BCA_A1APS_protein.pdb,posex_set/posex_self_docking_set/9BCA_A1APS/9BCA_A1APS_ligand_start_conf.sdf
7S3X_H4B,C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1,CPRFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPSQHTRKPEDVRTKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQQGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYNILEEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQPDPWNTHVWKG,posex_set/posex_self_docking_set/7S3X_H4B/7S3X_H4B_protein.pdb,posex_set/posex_self_docking_set/7S3X_H4B/7S3X_H4B_ligand_start_conf.sdf
8K62_IAU,O=C(O)c1cnn(-c2ncc(OCc3cccc(OC(F)(F)F)c3)cn2)c1,MGKMAAAVGSVATLATEPGEDAFRKLFRFYRQSRPGTADLEGVIDFSAAHAARGKGPGAQKVIKSQLNVSSVSEQNAYRAGLQPVSKWQAYGLKGYPGFIFIPNPFLPGYQWHWVKQCLKLYSQKPNVCNLDKHMSKEETQDLWEQSKEFLRYKEATKRRPRSLLEKLRWVTVGYHYNWDSKKYSADHYTPFPSDLGFLSEQVAAACGFEDFRAEAGILNYYRLDSTLGIHVDRSELDHSKPLLSFSFGQSAIFLLGGLQRDEAPTAMFMHSGDIMIMSGFSRLLNHAVPRVLPNPEGEGLPHCLEAPLPAVLPRDSMVEPCSMEDWQVCASYLKTARVNMTVRQVLATDQNFPLEPIEDEKRDISTEGFCHLDDQNSEVKRARINPDS,posex_set/posex_self_docking_set/8K62_IAU/8K62_IAU_protein.pdb,posex_set/posex_self_docking_set/8K62_IAU/8K62_IAU_ligand_start_conf.sdf
8JDB_UIT,CCCCCC[C@@H](O)C(=O)O,WSHPQFEKGSQGGLSQDFVEALKAVVGSPHVSTASAVREQHGHDESMHRCQPPDAVVWPQNVDQVSRVASLCYNQGVPIIPFGTGTGVEGGVCAVQGGVCINLTHMDQITELNTEDFSVVVEPGVTRKALNTHLRDSGLWFPVDPGADASLCGMAATGASGTNAVRYGTMRDNVINLEVVLPDGRLLHTAGRGRHYRKSAAGYNLTGLFVGSEGTLGIITSTTLRLHPAPEATVAATCAFPSVQAAVDSTVQILQAAVPVARIEFLDDVMMDACNRHSKLNCPVAPTLFLEFHGSQQTLAEQLQRTEAITQDNGGSHFSWAKEAEKRNELWAARHNAWYAALALSPGSKAYSTDVCVPISRLPEILVETKEEIKASKLTGAIVGHVGDGNFACILLVDPDDAEEQRRVKAFAENLGRRALALGGTCTGEHGIGLGKRQLLQEEVGPVGVETMRQLKNTLDPRGLMNPGKVL,posex_set/posex_self_docking_set/8JDB_UIT/8JDB_UIT_protein.pdb,posex_set/posex_self_docking_set/8JDB_UIT/8JDB_UIT_ligand_start_conf.sdf
7V36_5P0,C[C@@H](CCO)[C@@H]1NC(=O)/C(=C/[C@@](C)(O)CO)NC1=O,MTDHARGTLPEIRRGRIYRDVYHKRVDEEPVDRTADLERARLGDDGLDFQDDAAQARAFAQGVFLLEIPEWLDLSAGDRFARQFFQGTGVEPYGKYRDLSSEHFGDELLGYHSRVDQLEQFLLERRFWGEVYPSEIATLGEHLTLLSHRVLRSVLASAGIPEEDWHRASGGCSETNGSYHLTFNHYRSAHQDIGLSSHKDDGFITVLRTTAQGLEVNRDDVWEKVPVDPACFVVNFGLSMEILTSACVTPLSAIMHRVSHQNFDRSSFGHFSSSRCLPGADDGIYRYLPSAGLERVCGSRELIEENDHEIYMGTEGQGLEHHHHHHHH,posex_set/posex_self_docking_set/7V36_5P0/7V36_5P0_protein.pdb,posex_set/posex_self_docking_set/7V36_5P0/7V36_5P0_ligand_start_conf.sdf
8UV0_XKU,CC(C)(O)Cn1cc(-c2nc(NC3CCN(S(=O)(=O)C4CC4)CC3)ncc2C(F)(F)F)cn1,ENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_self_docking_set/8UV0_XKU/8UV0_XKU_protein.pdb,posex_set/posex_self_docking_set/8UV0_XKU/8UV0_XKU_ligand_start_conf.sdf
8OUA_W0Z,COc1c(N)c(F)cc(C(=O)N[C@H]2CCC(=O)NC2=O)c1F,ASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPA|GASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPA,posex_set/posex_self_docking_set/8OUA_W0Z/8OUA_W0Z_protein.pdb,posex_set/posex_self_docking_set/8OUA_W0Z/8OUA_W0Z_ligand_start_conf.sdf
8BFM_QI6,Nc1nn2nccc2c2ccccc12,MARENGESSSSWKKQAEDIKKIFEFKETLGTGAFSEVVLAEEKATGKLFAVKCIPKKALKGKESSIENEIAVLRKIKHENIVALEDIYESPNHLYLVMQLVSGGELFDRIVEKGFYTEKDASTLIRQVLDAVYYLHRMGIVHRDLKPENLLYYSQDEESKIMISDFGLSKMEGKGDVMSTACGTPGYVAPEVLAQKPYSKAVDCWSIGVIAYILLCGYPPFYDENDSKLFEQILKAEYEFDSPYWDDISDSAKDFIRNLMEKDPNKRYTCEQAARHPWIAGDTALNKNIHESVSAQIRKNFAKSKWRQAFNATAVVRHMRKLHLGSSLDSSNASVSSSLSLASQKDCLAPSTLCSFISSSSGVSGVGAERRPRPTTVTAVHSGSK,posex_set/posex_self_docking_set/8BFM_QI6/8BFM_QI6_protein.pdb,posex_set/posex_self_docking_set/8BFM_QI6/8BFM_QI6_ligand_start_conf.sdf
7FHB_GPP,CC(C)=CCC/C(C)=C\CO[P@@](=O)(O)OP(=O)(O)O,GPMSEAADVERVYAAMEEAAGLLGVACARDKIYPLLSTFQDTLVEGGSVVVFSMASGRHSTELDFSISVPTSHGDPYATVVEKGLFPATGHPVDDLLADTQKHLPVSMFAIDGEVTGGFKKTYAFFPTDNMPGVAELSAIPSMPPAVAENAELFARYGLDKVQMTSMDYKKRQVNLYFSELSAQTLEAESVLALVRELGLHVPNELGLKFCKRSFSVYPTLNWETGKIDRLCFAVISNDPTLVPSSDEGDIEKFHNYATKAPYAYVGEKRTLVYGLTLSPKEEYYKLGAYYHITDVQRGLLKAFDSLED,posex_set/posex_self_docking_set/7FHB_GPP/7FHB_GPP_protein.pdb,posex_set/posex_self_docking_set/7FHB_GPP/7FHB_GPP_ligand_start_conf.sdf
8TCE_HWF,O=C(O)[C@@H](Cc1ccccc1)[C@H]1CCNC1,APTENSTGVQDCYRGDGQSYRGTLSTTITGRTCQSWSSMTPHWHRRIPLYYPNAGLTRNYCRNPDAEIRPWCYTMDPSVRWEYCNLTRCPVTES,posex_set/posex_self_docking_set/8TCE_HWF/8TCE_HWF_protein.pdb,posex_set/posex_self_docking_set/8TCE_HWF/8TCE_HWF_ligand_start_conf.sdf
7ENZ_LDR,O=c1[nH]c2ccccc2c2ccccc12,AAHGSNPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_self_docking_set/7ENZ_LDR/7ENZ_LDR_protein.pdb,posex_set/posex_self_docking_set/7ENZ_LDR/7ENZ_LDR_ligand_start_conf.sdf
8BJH_LAB,C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2,DEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIITNWDDMEKIWHHTFYNELRVAPEEHPTLLTEAPLNPKANREKMTQIMFETFNVPAMYVAIQAVLSLYASGRTTGIVLDSGDGVTHNVPIYEGYALPHAIMRLDLAGRDLTDYLMKILTERGYSFVTTAEREIVRDIKEKLCYVALDFENEMATAASSSSLEKSYELPDGQVITIGNERFRCPETLFQPSFIGMESAGIHETTYNSIMKCDIDIRKDLYANNVMSGGTTMYPGIADRMQKEITALAPSTMKIKIIAPPERKYSVWIGGSILASLSTFQQMWITKQEYDEAGPSIVHRKCF|GPGSQEATPNQDGSHKTYQSRDLVLEPIQHPKSIELGMPEVDQSVLAEVAERENVIIGVRPVDEKSKSLIASKMYSSMGLFVKAISSDWGPMSGFIPVDQSFAKASARRDLEKFNEYAEQSILSGNAVSANLYLNQVRIEELVSKYESLTPLELDVDSGMYKTTATNGDQTIPFFLNKVTVDDKELWQVHYLREGELAPFKVIGDPVSKQPMTADYDLLTVMYTYGDLGPQDKVKQPLTWEQWKESVTYEDLSPKYKARYDNQALYEKQDGASLGMVSDRLKELKDVINTSLGRTDGLEMVHHGADDANPYAVMADNFPATFFVPKHFFDDDGLGEGKGSIQTYFNVNEQGAVVIQNPQEFSNFQQVAINASYRASLNDKWNSGLDSPLFTTKRKLSHDYLDARDEVAKKLGLTESSKLNGLGERQTMSPAQNSDVNTWARVDVSPPPPPGGAGWNAYIDNLMADGTCQDAAIVGYKDSPSVWAAVPGKTFVNITPAEVGVLVGKDRSSFYVNGLTLGGQKCSVIRDSLLQDGEFSMDLRTKSTGGAPTFNVTVTKTDKTLVLLMGKEGVHGGLINKKCYEMASHLRRSQY,posex_set/posex_self_docking_set/8BJH_LAB/8BJH_LAB_protein.pdb,posex_set/posex_self_docking_set/8BJH_LAB/8BJH_LAB_ligand_start_conf.sdf
8I52_OR6,C=C(C(=O)O)[C@H](CCCC)C(=O)O,SPLAFSVDSSGEYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNRSVVE,posex_set/posex_self_docking_set/8I52_OR6/8I52_OR6_protein.pdb,posex_set/posex_self_docking_set/8I52_OR6/8I52_OR6_ligand_start_conf.sdf
7T1D_E7K,Cc1cn(-c2ccc3c(c2)CN(c2ncc(Cc4ccc(-n5cccn5)cc4)s2)CC3)c(C)n1,ERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGLYDNLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQS,posex_set/posex_self_docking_set/7T1D_E7K/7T1D_E7K_protein.pdb,posex_set/posex_self_docking_set/7T1D_E7K/7T1D_E7K_ligand_start_conf.sdf
7VB8_STL,Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,MGSYDSSSSSSNDSSARNEEDESCMFALKLLGGFAVPFTIKAVIELGVMDQLLTAERAMSAEELVAAAVAAQLPRPEVACTMVDRLLRFLASHSVVRCTTEVVVGTDDATTTTCCRRSYAASPVCKWFARNGVEDSVLPLGMMILNKTFLDSWQNITDAVLEGAAPFEKTYGMPMFEYLSTNGPLNTVFHEAMANHSMIITKKLLKFFRGFEGLDVLVDVGGGNGTTLQMIRGQYKNMRGINYDLPHVIAQAAPVEGVEHVGGSMFDNIPRGNAVLLKWILHDWDDKACIKILKNCYTALHVRGKVIVLEYVVPDEPEPTLAAQGAFELDLTMLVTFGSGKERTQREFSELAMEAGFSREFKATYIFANVWALEFTK,posex_set/posex_self_docking_set/7VB8_STL/7VB8_STL_protein.pdb,posex_set/posex_self_docking_set/7VB8_STL/7VB8_STL_ligand_start_conf.sdf
7KDX_5AD,C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,MSAELASRGRKVYFVGLNEYPFLPLVAGLLRTYAEQDERIAAAYDFQEPVFLVAPVQEMADGIVEPDVLALSCYVWNFRRQMKVAKLVKERYPNVLVVAGGPHVPDRPGNFFEKHPYVDVLAHGEGEVAFRELLATRLSDHPDYTAVPGVSVRRGTEAVVGPKAKRLPRLIDTPSPYLLGVMDGAVATCRERGLRFYALWETNRGCPYSCSFCDWGSATMSTLRKFEDERLQDEIEWFARHDVEDLFICDANFGIMPRDLEIAHALAEARGELGAPRQVRVNFAKNSNDRVFDISKTWHDADLLMGTTLSMQSTDMDVLEAIDRKNIGLDNYRKLQQRYAAENIHTYTELILGLPMETARSFRDGIGSLLEAGNHEDLRVYELGILPNAPLNTPEKIEQYGLRTVPKRMYVERPGTPDDEAETFEMVMETNAMPRDAWVESFSFIQAVQFLHNGCYTRYLSIFLRQEHGIGYTRFYEGLQDYFTGRPDTVLGALYLRMRSLYHDYIDMPALPLANLVASQPDMAADLAPYGRRRGWTIDNWGWLRIATDFDRFHTELREYLATLGLDPAGDARLEDVLRFQQDVMLRPDYSPELGKSAEYAHDWPGYFAGGLLRPRRVRVAYGDQSFGANGRYRPVPGDLKAFTMAAIGTSYPVSRMGHFCHRFESAEVTSLAEPVVSEQW,posex_set/posex_self_docking_set/7KDX_5AD/7KDX_5AD_protein.pdb,posex_set/posex_self_docking_set/7KDX_5AD/7KDX_5AD_ligand_start_conf.sdf
7YSX_JU3,CC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O,MGSSHHHHHHSSGLVPRGSHMTEQEDVLAKELEDVNKWGLHVFRIAELSGNRPLTVIMHTIFQERDLLKTFKIPVDTLITYLMTLEDHYHADVAYHNNIHAADVVQSTHVLLSTPALEAVFTDLEILAAIFASAIHDVDHPGVSNQFLINTNSELALMYNDSSVLENHHLAVGFKLLQEENCDIFQNLTKKQRQSLRKMVIDIVLATDMSKHMNLLADLKTMVETKKVTSSGVLLLDNYSDRIQVLQNMVHCADLSNPTKPLQLYRQWTDRIMEEFFRQGDRERERGMEISPMCDKHNASVEKSQVGFIDYIVHPLWETWADLVHPDAQDILDTLEDNREWYQSTIPQS,posex_set/posex_self_docking_set/7YSX_JU3/7YSX_JU3_protein.pdb,posex_set/posex_self_docking_set/7YSX_JU3/7YSX_JU3_ligand_start_conf.sdf
7UJ7_NYU,CN(C)CCOc1ccc([C@H]2C[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]3CCc4cc(O)ccc4[C@H]32)cc1,HHHHHHENLYFQSMLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLESAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKSVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKSKNVVPLSDLLLEMLDAHRLHAPTS,posex_set/posex_self_docking_set/7UJ7_NYU/7UJ7_NYU_protein.pdb,posex_set/posex_self_docking_set/7UJ7_NYU/7UJ7_NYU_ligand_start_conf.sdf
8K2M_GNL,CC1=N[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]2S1,GPGLIRWSQVDEEGDTIMLEELPDFETRCLSSLSKVFADAELHDLPVNTGSAMWKEVFSFQVAYRSPQLIKSLKISAESELEPYLAIRAVGLSPSELPVFPNPDEGYIRTAPGLYPDPLYPLADGVHAVPNQWRSVWVTVSLPSMSEFIPAADIGAESVSFPIDLCFEDGKGNHLGAEKFALEIIFQELPEQTLLHTEWFHSDCIATQYKVEVFSEAHWKLIESYVHNAVNHGVNMLLTPLFTPPLDTYVGGERPTVQLIDVEITGVNEYRFKFDRLERWVEMCQRLGIQFIEFSHLFTQWGAKYAPKIIAKKDGEEKRIFGWDTEASGESYSLFLDQFLPQLVHFIRNHHLDDKVFFHVSDEPGMKHAESYRQASDILNKHLAGFSILDALSDYDFYEKGLVQIPVPSNDQIEPFIEHGVEPLWTYYCCGQDHHVSNRFFSLSSPRNRVLGAQLYKFGVQGFLHWGFNFWYSQYSKKVIDPFKVTDADCAFPSGDPFVVYPGADGPLDSIRWEVFREGLQDLRALKLLEALAGREKTLALLEQNLREELTFKSFPDDIEWLLSTREKINRAIKDAYRADR,posex_set/posex_self_docking_set/8K2M_GNL/8K2M_GNL_protein.pdb,posex_set/posex_self_docking_set/8K2M_GNL/8K2M_GNL_ligand_start_conf.sdf
8FLV_ZB9,CN(c1ncnc2[nH]ccc12)[C@@H]1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1,GPLGSKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES,posex_set/posex_self_docking_set/8FLV_ZB9/8FLV_ZB9_protein.pdb,posex_set/posex_self_docking_set/8FLV_ZB9/8FLV_ZB9_ligand_start_conf.sdf
8C1F_T5L,O=C(O)[C@@H]1CCCC[C@H]1C(=O)O,MGRQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGELKIADFGWSVHAPSSRRTTLAGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSS,posex_set/posex_self_docking_set/8C1F_T5L/8C1F_T5L_protein.pdb,posex_set/posex_self_docking_set/8C1F_T5L/8C1F_T5L_ligand_start_conf.sdf
7V1C_SFG,Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,MTLGDLWKRRLNNCTKEEFFAYRRTGILETERDKARELLRKGETNMGLAVSRGTAKLAWLEERGYVNLKGEVVDLGCGRGGWSYYAASRPAVMGVKAYTIGGKGHEAPKMVTSLGWNLIKFRAGMDVFTMQPHRADTVMCDIGESSPDAAIEGERTRKVILLMEQWKNRNPSASCVFKVLAPYRPEVIEALHRFQLQWGGGLVRTPFSRNSTHEMYYSTAISGNIVNSVNVQSRKLLARFGDQRGPIRVPEMDLGVGTRHHHHHH,posex_set/posex_self_docking_set/7V1C_SFG/7V1C_SFG_protein.pdb,posex_set/posex_self_docking_set/7V1C_SFG/7V1C_SFG_ligand_start_conf.sdf
7YBA_IO9,O=C(O)C(=O)C[C@@H](O)C(=O)O,KPKLLNKFDKTIKAELDAAEKLRKRGKIEEAVNAFKELVRKYPQSPRARYGKAQCEDDLAEKRRSNEVLRGAIETYQEVASLPDVPADLLKLSLKRRSDRQQFLGHMRGSLLTLQRLVQLFPNDTSLKNDLGVGYLLIGDNDNAKKVYEEVLSVTPNDGFAKVHYGFILKAQNKIAESIPYLKEGIESGDPGTDDGRFYFHLGDAMQRVGNKEAYKWYELGHKRGHFASVWQRSLYNVNGLKAQPWWTPKETGYTELVKSLERNWKLIRDEGLAVMDKAKGLFLPEDENLREKGDWSQFTLWQQGRRNENACKGAPKTCTLLEKFPETTGCRRGQIKYSIMHPGTHVWPHTGPTNCRLRMHLGLVIPKEGCKIRCANETKTWEEGKVLIFDDSFEHEVWQDASSFRLIFIVDVWHPELTPQQRRSLPAI,posex_set/posex_self_docking_set/7YBA_IO9/7YBA_IO9_protein.pdb,posex_set/posex_self_docking_set/7YBA_IO9/7YBA_IO9_ligand_start_conf.sdf
8SWS_IM5,Nc1nc2c(CN3C[C@H](CO)[C@@H](O)C3)c[nH]c2c(=O)[nH]1,SMSSLDINEQRALIKSAHRYISEKLEDHFSSEFLPKALVICGEGLSGISTKIADEPKPLILSYSTIPGFKVSTVPGHSGELIFGYMNGAPVVLMNGRLRSYEGHSLAETVHPIRALHLLGSINVLIVTNAAGGINASFKAGDLMCVYDHINFPGLCGFHPLRGANFDEFGPRFLATSDAYDLELRKLLFSKKKELNIERKIHEGTYSYVHGPTFESRAESRFLRLAGTDAVGMSTVPEVVTARHCGWRVLALSLITNECVVDPPASAHDENPVPIQEGKATHEEVLENSAKASKDVQELIFSVVAEI,posex_set/posex_self_docking_set/8SWS_IM5/8SWS_IM5_protein.pdb,posex_set/posex_self_docking_set/8SWS_IM5/8SWS_IM5_ligand_start_conf.sdf
8C0G_SRC,CN1CN([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21,ASQAWQPGVAMPNLYKMQRMLLEKCDLQNYGENAVIPKGIMMNVAKYTQLCQYLNTLTLAVPYNMRVIHFGAGSDKGVAPGTAVLRQWLPTGTLLVDSDLNDFVSDADSTLIGDCATVHTANKWDLIISDMYDPRTKHVTKENDSKEGFFTYLCGFIKQKLALGGSIAVKITEHSWNADLYKLMGHFSWWTAFVTNVNASSSEAFLIGANYLGKPKEQIDGYTMHANYIFWRNTNPIQLSSYSLFDMSKFPLKLRGTAVMSLKENQINDMIYSLLEKGRLIIRENNRVVVSS|NSTVLSFCAFAVDPAKAYKDYLASGGQPITNCVKMLCTHTGTGQAITVTPEANMDQESFGGASCCLYCRCHIDHPNPKGFCDLKGKYVQIPTTCANDPVGFTLRNTVCTVCGMWKGYGCSCD,posex_set/posex_self_docking_set/8C0G_SRC/8C0G_SRC_protein.pdb,posex_set/posex_self_docking_set/8C0G_SRC/8C0G_SRC_ligand_start_conf.sdf
8BMV_URC,O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1,MGSSHHHHHHSSGLVPRGSHMLNRLTDRYLVDTALPASIEAIRNDIERMLGQPLVAAADIAGNTLLRDWLAAGEDPAQAPQFIEYLTAAKQRNHAFTTLFASTETGHYYNENGLDRTLSRSNPKDKWFYGYIDSGAERFINIDIDGATGELALFIDYRVEKEGKLVGVAGMGLRMTELSKLIHDFSFGEHGKVFLVRNDGLIQVHPDAAFSGKRQLAEQLGADAAKGVMTGGESLRSSRFSRDGERYLALGLPLRDLNWTLVAEVPESEIYAQMHQ,posex_set/posex_self_docking_set/8BMV_URC/8BMV_URC_protein.pdb,posex_set/posex_self_docking_set/8BMV_URC/8BMV_URC_ligand_start_conf.sdf
7VWT_AO6,CC1=C(C[C@@H](C)O)c2[nH]c3ccccc3c2C(=O)C1=O,GPSTVQELDLAGITDSGLRADYIASSQLFRKIGRGRFLGRYMMHPAKRPYFDTFFSFVCYIDDLADDINLSVDVRARRLDEWQRTYLAIAKGEDEHPLSLSEQTDAALARALVHTLRTWDLPYLRVPEFVDGHRKALTTYEYADQEELDDFLETVTLLPAIWINQIFEPISEDAEELCRHTITAFQLLDFIWDLREDLDLGRLYLPLDHLARFGLTRADLDRQIGSGYISDALRELIQFEIDIAREHMNAGRSWPQTLHPTARIFMETDIQTHDSMFPEMIKDDYAFFKSPLDFVSGRMIPRTAKAIARARKANQQATRAGYRIRPPYRGTEA,posex_set/posex_self_docking_set/7VWT_AO6/7VWT_AO6_protein.pdb,posex_set/posex_self_docking_set/7VWT_AO6/7VWT_AO6_ligand_start_conf.sdf
7SUF_BVI,Cc1c(Nc2ncc3cccc(C4CC4)c3n2)cnn1C1CCOCC1,MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH,posex_set/posex_self_docking_set/7SUF_BVI/7SUF_BVI_protein.pdb,posex_set/posex_self_docking_set/7SUF_BVI/7SUF_BVI_ligand_start_conf.sdf
7AYY_SEQ,c1ccc2c(NC3CCCCC3)nc(C3CC3)nc2c1,MGSSHHHHHHSSGLVPRGSHMGHRTLASTPALWASIPCPRSELRLDLVLPSGQSFRWREQSPAHWSGVLADQVWTLTQTEEQLHCTVYRGDKSQASRPTPDELEAVRKYFQLDVTLAQLYHHWGSVDSHFQEVAQKFQGVRLLRQDPIECLFSFICSSNNNIARITGMVERLCQAFGPRLIQLDDVTYHGFPSLQALAGPEVEAHLRKLGLGYRARYVSASARAILEEQGGLAWLQQLRESSYEEAHKALCILPGVGTKVADCICLMALDKPQAVPVDVHMWHIAQRDYSWHPTTSQAKGPSPQTNKELGNFFRSLWGPYAGWAQAVLFSADLRQSR,posex_set/posex_self_docking_set/7AYY_SEQ/7AYY_SEQ_protein.pdb,posex_set/posex_self_docking_set/7AYY_SEQ/7AYY_SEQ_ligand_start_conf.sdf
8U2R_WTA,CCO[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,MAHHHHHHMSDNPHSLHPLSSDSTSQALHSSTKPPATPHEGEFHSVRDSNVVEPTEANGKKSHVGPHLGSRMRIYEYSIEHNDAFWAEIARRDFYWKTTWPDDQHVKSYNFDKSKGPIFVKWFEGAVTNVCYNALDRHLPAHKDRVCFYFEGNDPSVTEAVTYGSMYTRVVELANVLKYQYGIAKGDRVGLYLPMIPFAAVAMLACARIGAVITVIFGGFSAQALSSRLKDAQTKLLITADASARGTKPIPLKDVADEALKECEEEGMSIACLVAENMNRQSCKMKEGRDTWYGDALARLTPEQHEECPVEWMDAEDVLFLLYTSGSTGKPKAIVHTTAGYMVYASTTFMYSFDYHMDDVYFCTADIGWITGHSYVVYGPMIHCATSVLFEGVPNYPDYSRWWQLVEKYKVSILYTAPTAIRSLMQAGDDYVKVGNRSTLRVLGSVGEPINVEAWKWLRDVGGEGHCDVSDTWWQTETGGHMITPMPGCTPMKPGSATLPFFGVQPVILDPMKLHEKQGPAEGLLAIRAPWPGMARTIYGDHARFEKTYFGVDGYYMTGDGARRDSDGYYWITGRVDDVLNVSGHRIGTSEIEDAVNTHPAVVESAVVGFPHNIKGEGIYVFLTFRQGTEVTPELLAAVKATVRKVIGPLATPDVMQVARVGLPKTRSGKIVRRILRKVSAGQYTELGDTSTLANPDVVEDLIAEHQRLCSQN,posex_set/posex_self_docking_set/8U2R_WTA/8U2R_WTA_protein.pdb,posex_set/posex_self_docking_set/8U2R_WTA/8U2R_WTA_ligand_start_conf.sdf
7WUX_6OI,N[C@@H](CC[C@H](O)[C@@H](N)COS(=O)(=O)O)C(=O)O,MASWSHPQFEKGGTHVAETSAPTRSEPDTRVLTLPGTASAPEFRLIDIDGLLNNRATTDVRDLGSGRLNAWGNSFPAAELPAPGSLITVAGIPFTWANAHARGDNIRCEGQVVDIPPGQYDWIYLLAASERRSEDTIWAHYDDGHADPLRVGISDFLDGTPAFGELSAFRTSRMHYPHHVQEGLPTTMWLTRVGMPRHGVARSLRLPRSVAMHVFALTLRTAAAVRLAEGATT|MGSSHHHHHHSQDPNSTTTAPPVELWTRDLGSCLHGTLATALIRDGHDPVTVLGAPWEFRRRPGAWSSEEYFFFAEPDSLAGRLALYHPFESTWHRSDGDGVDDLREALAAGVLPIAAVDNFHLPFRPAFHDVHAAHLLVVYRITETEVYVSDAQPPAFQGAIPLADFLASWGSLNPPDDADVFFSASPSGRRWLRTRMTGPVPEPDRHWVGRVIRENVARYRQEPPADTQTGLPGLRRYLDELCALTPGTNAASEALSELYVISWNIQAQSGLHAEFLRAHSVKWRIPELAEAAAGVDAVAHGWTGVRMTGAHSRVWQRHRPAELRGHATALVRRLEAALDLLELAADAVS,posex_set/posex_self_docking_set/7WUX_6OI/7WUX_6OI_protein.pdb,posex_set/posex_self_docking_set/7WUX_6OI/7WUX_6OI_ligand_start_conf.sdf
7FQ1_FOL,Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1,MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR,posex_set/posex_self_docking_set/7FQ1_FOL/7FQ1_FOL_protein.pdb,posex_set/posex_self_docking_set/7FQ1_FOL/7FQ1_FOL_ligand_start_conf.sdf
8FP1_XXF,CN1CCC2(CC1)CN(c1ncnc3[nH]c(Cl)c(-c4cccc(C#N)c4)c13)CCO2,GSKESSKEGNGIGVNSSNRLGIDNFEFIRVLGKGSFGKVMLARVKETGDLYAVKVLKKDVILQDDDVECTMTEKRILSLARNHPFLTQLFCCFQTPDRLFFVMEFVNGGDLMFHIQKSRRFDEARARFYAAEIISALMFLHDKGIIYRDLKLDNVLLDHEGHCKLADFGMCKEGICNGVTTATFCGTPDYIAPEILQEMLYGPAVDWWAMGVLLYEMLCGHAPFEAENEDDLFEAILNDEVVYPTWLHEDATGILKSFMTKNPTMRLGSLTQGGEHAILRHPFFKEIDWAQLNHRQIEPPFRPRIKSREDVSNFDPDFIKEEPVLTPIDEGHLPMINQDEFRNFEYVSPELQP,posex_set/posex_self_docking_set/8FP1_XXF/8FP1_XXF_protein.pdb,posex_set/posex_self_docking_set/8FP1_XXF/8FP1_XXF_ligand_start_conf.sdf
8JNP_EIA,CC[C@H]1[C@@H]2C=C[C@@H]3[C@H]4C/C=C\C(=O)NCCC[C@@H]5NC(=O)/C(=C(O)/C=C/[C@@H]4C[C@@H]3[C@H]2C[C@H]1C)C5=O,MPDQHPPLPYPFAPRGLDLDPAYAELRERAPARIRMPYGDDAWLVTRYEDVRTVLADPRFSLAASMGRDQPRMRPVARTGAGLFSTEPPEHTRLRSLVARQFSARRVEPLRARAGQLADELIDGMVVAGQPADLVEDFAIPMPTTIICEVLGIPAKDHRMLWHWAETVLSAITPQEVLATEGRAFVEYMVGVLELRGREPGDDLLTALVRACREEGLISEEELLSIACDLLIAGFVSTTNQIGNFFHQLLVHPEELTRLRERPELIPKAVEELMRYVPLLTGFNLARYATADVELGGITIRAGEAVMIATAAANRDPEVFQEPERLVMDRGANPHIGFGHGVHYCVGAHLARLELQVAIERVLHRLPGMRLAVPESELSWKQDAMVNGLQALPVAW,posex_set/posex_self_docking_set/8JNP_EIA/8JNP_EIA_protein.pdb,posex_set/posex_self_docking_set/8JNP_EIA/8JNP_EIA_ligand_start_conf.sdf
8QML_41K,C[C@@]1(C(=O)O)N[C@H](C(=O)O)CS1,MWSHPQFEKASTGREILEKLERREFTREVLKEALSINDRGFNEALFKLADEIRRKYVGDEVHIRAIIEFSNVCRKNCLYCGLRRDNKNLKRYRMTPEEIVERARLAVQFGAKTIVLQSGEDPYXMPDVISDIVKEIKKMGVAVTLSLGEWPREYYEKWKEAGADRYLLRHETANPVLHRKLRPDTSFENRLNCLLTLKELGYETGAGSMVGLPGQTIDDLVDDLLFLKEHDFDMVGIGPFIPHPDTPLANEKKGDFTLTLKMVALTRILLPDSNIPATTAMGTIVPGGREITLRCGANVIMPNWTPSPYRQLYQLYPGKISVFEKDTASIPSVMKMIELLGRKPGRDWGGRKRVFETV,posex_set/posex_self_docking_set/8QML_41K/8QML_41K_protein.pdb,posex_set/posex_self_docking_set/8QML_41K/8QML_41K_ligand_start_conf.sdf
7FB7_8NF,Cc1cc(C)c(N)cn1,SDEDMWDETELGLYKVNEYVDARDTNMGAWFEAQVVRVTRKAPSRPALEEDVIYHVKYDDYPENGVVQMNSRDVRARARTIIKWQDLEVGQVVMLNYNPDNPKERGFWYDAEISRKRETRTARELYANVVLGDDSLNDCRIIFVDEVFKIERPGE,posex_set/posex_self_docking_set/7FB7_8NF/7FB7_8NF_protein.pdb,posex_set/posex_self_docking_set/7FB7_8NF/7FB7_8NF_ligand_start_conf.sdf
7CQR_GEU,Cc1[nH]n(C)c(=O)c1C(=O)c1ccc2c(c1C)c(=O)n(-c1cccc(Cl)c1)c(=O)n2C,KNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMVHASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSSHGLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGDVVLRYVSYKAEDTEKSEFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTYVAGFTGFHQFAEFTADDVGTAESGLNSAVLASNDEMVLLPINEPVHGTKRKSQIQTYLEHNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKRVGDVLSDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRVGCMMKDEEGKAYQSGGCGGFGKGNFSELFKSIEEYEK,posex_set/posex_self_docking_set/7CQR_GEU/7CQR_GEU_protein.pdb,posex_set/posex_self_docking_set/7CQR_GEU/7CQR_GEU_ligand_start_conf.sdf
7QTA_URI,O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1,WGNLGHETVAYIAQSFVASSTESFCQNILGDDSTSYLANVATWADTYKYTDAGEFSKPYHFIDAQDNPPQSCGVDYDRDCGSAGCSISAIQNYTNILLESPNGSEALNALKFVVHIIGDIHQPLHDENLEAGGNGIDVTYDGETTNLHHIWDTNMPEEAAGGYSLSVAKTYADLLTERIKTGTYSSKKDSWTDGIDIKDPVSTSMIWAADANTYVCSTVLDDGLAYINSTDLSGEYYDKSQPVFEELIAKAGYRLAAWLDLIASQPS,posex_set/posex_self_docking_set/7QTA_URI/7QTA_URI_protein.pdb,posex_set/posex_self_docking_set/7QTA_URI/7QTA_URI_ligand_start_conf.sdf
8WL9_RIP,O[C@@H]1[C@H](O)[C@H](O)CO[C@H]1O,MGSSHHHHHHSSGLVPRGSHMAAEYAVVLKTLSNPFWVDMKKGIEDEAKTLGVSVDIFASPSEGDFQSQLQLFEDLSNKKYKGIAFAPLSSVNLVMPVARAWQKGLYLVNLDEKIDMDNLKKAGGNVEGFVTTDNVAVGAKGADFIINKLGAEGGEVAIIEGKAGNASGEARRNGATEAFKKANQIKLVASQPADWDRIKALDVATNVLQRNPNLKAFYCANDTMAMGVAQAVANAGKIGKVLVVGTDGIPEARKMVEAGQMTATVAQNPADIGATGLKLMVDAAKTGKVIPLEKTPEFKLVDSILVTK,posex_set/posex_self_docking_set/8WL9_RIP/8WL9_RIP_protein.pdb,posex_set/posex_self_docking_set/8WL9_RIP/8WL9_RIP_ligand_start_conf.sdf
7Y02_IEZ,Nc1nc2nc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)O)cnc2c(=O)[nH]1,MHHHHHHIFPKQYPIINFTTAGATVQSYTNFIRAVRGRLTTGADVRHEIPVLPNRVGLPINQRFILVELSNHAELSVTLALDVTNAYVVGYRAGNSAYFFHPDNQEDAEAITHLFTDVQNRYTFAFGGNYDRLEQLAGNLRENIELGNGPLEEAISALYYYSTGGTQLPTLARSFIICIQMISEAARFQYIEGEMRTRIRYNRRSAPDPSVITLENSWGRLSTAIQESNQGAFASPIQLQRRNGSKFSVYDVSILIPIIALMVYRCAPPPSSQF,posex_set/posex_self_docking_set/7Y02_IEZ/7Y02_IEZ_protein.pdb,posex_set/posex_self_docking_set/7Y02_IEZ/7Y02_IEZ_ligand_start_conf.sdf
7HOC_K3J,CCNc1ccc(C)nn1,SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ,posex_set/posex_self_docking_set/7HOC_K3J/7HOC_K3J_protein.pdb,posex_set/posex_self_docking_set/7HOC_K3J/7HOC_K3J_ligand_start_conf.sdf
7XBV_APC,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)C[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,VTADAALEPDERAAWLAYNDTAEDFPGPHLLARLDAVAREHPDRPAVHAVDGVWTYRELHRRADAVAAFLAARGVRPGSVVAIAATRALAPYAALLGVLKAGCAYVPVNPDDPADRVAFVLADAGATPLLLDTDPASLPAAPAPDVPHEPDRVCYVIYTSGSTGRPKGVVMAERAVDNLTHWVVRRHDVRPDDRLGQTAPLTFDPSVQQVFPAWATGACLVTVPDDVQRDPAAFLDWLRAERVTHLDLVTSHWVHLLNAAEARPAELPDLRWIIIGGETYYYHQTHRWHRVVSSPARLNTIYGPTEAAVNATEHLTEPDLDHGQVPIGVPLPNYRLYALDDDGRLCPPGITGEIHIAGAGLARGYRSAEATAKAFHELEVHSGRTERLYRTGDLARLVRHADRWALEFQGRVDSQVKISGYRVELEEVDAAVKAVPGVRDAAVVVRGEPAEQLVCCYVGDVPPDRLRSRLTERLPAYLVPHLLVPVEALPFTRNGKMDTAELAELVRRFARDS,posex_set/posex_self_docking_set/7XBV_APC/7XBV_APC_protein.pdb,posex_set/posex_self_docking_set/7XBV_APC/7XBV_APC_ligand_start_conf.sdf
7EZQ_0O0,Cc1ccccc1-n1c(=O)c2c(C)c(C(=O)c3c(C)nn(C)c3O)ccc2n(C)c1=O,GSHMVRKNPKSDKFKVKRFHHIEFWCGDATNVARRFSWGLGMRFSAKSDLSTGNMVHASYLLTSGDLRFLFTAPYSPSLSAGEIKPTTTASIPSFDHGSCRSFFSSHGLGVRAVAIEVEDAESAFSISVANGAIPSSPPIVLNEAVTIAEVKLYGDVVLRYVSYKAEDTEKSEFLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTYVAGFTGFHQFAEFTADDVGTAESGLNSAVLASNDEMVLLPINEPVHGTKRKSQIQTYLEHNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKRVGDVLSDDQIKECEELGILVDRDDQGTLLQIFTKPLGDRPTIFIEIIQRVGCMMKDEEGKAYQSGGCGGFGKGNFSELFKSIEEYEKTL,posex_set/posex_self_docking_set/7EZQ_0O0/7EZQ_0O0_protein.pdb,posex_set/posex_self_docking_set/7EZQ_0O0/7EZQ_0O0_ligand_start_conf.sdf
7BBN_GDP,Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,SKEKFERTKPHVNVGTIGHVDHGKTTLTAAITTVLAKTYGGAARAFDQIDNAPEEKARGITINTSHVEYDTPTRHYAHVDCPGHADYVKNMITGAAQMDGAILVVAATDGPMPQTREHILLGRQVGVPYIIVFLNKCDMVDDEELLELVEMEVRELLSQYDFPGDDTPIIRGSALKALEGEAEWEAKIIELAEALDSYIPEPERAIDQPFLLPIEDVFSISGRGTVVTGRVERGIVKVGEEVEIVGIKDTTKTTCTGVEMFRKLLDEGRAGENVGVLLRGTKRDEIERGQVLAKPGSITPHTTFESEVYVLSKDEGGRHTPFFKGYRPQFYFRTTDVTGTIELPEGVEMVMPGDNIKMTVTLIHPIAMDEGLRFAIREGGRTVGAGVVAKIIA,posex_set/posex_self_docking_set/7BBN_GDP/7BBN_GDP_protein.pdb,posex_set/posex_self_docking_set/7BBN_GDP/7BBN_GDP_ligand_start_conf.sdf
8CN2_V60,CC(C)CNC(=O)c1cc[nH]n1,SRRRVVITGMGMLSPLGLDVPSSWEGILAGRSGIAPIEHMDLSAYSTRFGGSVKGFNVEEYLSAKEARKLDLFIQYGLAASFQAVRDSGLEVTDANRERIGVSMGSGIGGLTNIENNCRSLFEQGPRRISPFFVPGSIINMVSGFLSIHLGLQGPNYALTTAQTTGTHSIGMAARNIAYGEADVMVAGGSEMAACGLGLGGFGAARALSTRNDEPTRASRPWDRDRDGFVLSDGSGALVLEELEHARARGARIYAELVGFGMSGDAFHMTAPPEDGAGAARCMKNALRDAGLDPRQVDYINAHGTSTPAGDIAEIAAVKSVFGEHAHALSMSSTKSMTGHLLGAAGAVEAIFSVLALRDQVAPPTINLDNPDEGCDLDLVAHEAKPRKIDVALSNSFGFGGTNGTLVFRRFA,posex_set/posex_self_docking_set/8CN2_V60/8CN2_V60_protein.pdb,posex_set/posex_self_docking_set/8CN2_V60/8CN2_V60_ligand_start_conf.sdf
8PXH_TAU,NCCS(=O)(=O)O,MVNVTVAYQTSAEPAKVAQADNTFAKESGATVDWRKFDSGASIVRALASGDVQIGNLGSSPLAVAASQQVPIEVFLLASKLGNSEALVVKKTISKPEDLIGKRIAVPFISTTHYSLLAALKHWGIKPGQVEIVNLQPPAIIAAWQRGDIDGAYVWAPAVNALEKDGKVLTDSEQVGQWGAPTLDVWVVRKDFAEKHPEVVKAFAKSAIDAQQPYIANPDVWLKQPENISKLARLSGVPEGDVPGLVKGNTYLTPQQQTAELTGPVNKAIIDTAQFLKEQGKVPAVANDYSQYVTSRFV,posex_set/posex_self_docking_set/8PXH_TAU/8PXH_TAU_protein.pdb,posex_set/posex_self_docking_set/8PXH_TAU/8PXH_TAU_ligand_start_conf.sdf
7UA6_ETF,OCC(F)(F)F,STAGKVIKCKAAVLWEEKKPFSIEEVEVAPPKAHEVRIKMVATGICRSDDHVVSGTLVTPLPVIAGHEAAGIVESIGEGVTTVRPGDKVIPLFTPQCGKCRVCKHPEGNFCLKNDLSMPRGTMQDGTSRFTCRGKPIHHFLGTSTFSQYTVVDEISVAKIDAASPLEKVCLIGCGFSTGYGSAVKVAKVTQGSTCAVFGLGGVGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATECVNPQDYKKPIQEVLTEMSNGGVDFSFEVIGRLDTMVTALSCCQEAYGVSVIVGVPPDSQNLSMNPMLLLSGRTWKGAIFGGFKSKDSVPKLVADFMAKKFALDPLITHVLPFEKINEGFDLLRSGESIRTILTF,posex_set/posex_self_docking_set/7UA6_ETF/7UA6_ETF_protein.pdb,posex_set/posex_self_docking_set/7UA6_ETF/7UA6_ETF_ligand_start_conf.sdf
7SVJ_PGE,OCCOCCOCCO,MCTAVNFQTGSHHFFGRNLDLEISYGEQVVVTPRNYPFHFRQVAPLTHHYALIGMGIVVDDYPLYFDATNEKGLSMAGLNYPDNADYKALATDKANVTPFEFIPWVLGQAASIAEAKQLLTKLNLVKINFSDDLPLSPLHWLIGDTHSATSLVVECDKDGLHVYDNPVGVLTNNPSFDKQLFNLNNYRSVSPRVQENSFQPATALNDYSRGLGSHFLPGGMDSMSRFVKVAFTKLNAPHSATPLEQVTDFFHILHSVEQPKNLDEVAPNQFEYTIYSSCVDADQGIYYYTTYTNNQINAVKLHNVDLDQAKLTTYALADQQTVNYQNHHHHHH,posex_set/posex_self_docking_set/7SVJ_PGE/7SVJ_PGE_protein.pdb,posex_set/posex_self_docking_set/7SVJ_PGE/7SVJ_PGE_ligand_start_conf.sdf
7BKU_PHN,c1cnc2c(c1)ccc1cccnc12,STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGATTPTLGFASK,posex_set/posex_self_docking_set/7BKU_PHN/7BKU_PHN_protein.pdb,posex_set/posex_self_docking_set/7BKU_PHN/7BKU_PHN_ligand_start_conf.sdf
7QPP_VDX,C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,GSHMDSLRPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVRVNDGGGSVTLELSQLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDVTKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLEVFGNEIS,posex_set/posex_self_docking_set/7QPP_VDX/7QPP_VDX_protein.pdb,posex_set/posex_self_docking_set/7QPP_VDX/7QPP_VDX_ligand_start_conf.sdf
8AT8_HT9,CC1=C(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)c(CCC(=O)O)c4C)C(CCC(=O)O)=C3C,MTKKVGLLVMAYGTPYKDEDIERYYTDIRHGHKPSEEMIADLRGRYHAIGGLSPLAKITEAQAYGLEKALNDSQDEVEFKAYIGLKHIEPFIEDAVEAMHKDGIEEAISIVLAPHYSSFSVEAYNKRAKEAADKLGGPRINAINDWYKQPKFIQMWADRINETAKQIPADELLDTVLIVSAHSLPEKIKQHNDPYPNQLQETADFIFEKVVVPHYALGWQSEGKTGEPWLGPDVQDLTRELYGREKYKHFIYTPVGFVAEHLEVLYDNDYECKVVTDEVGAAYHRPPMPNSDPEFLEVLRTVVWEKYSNLE,posex_set/posex_self_docking_set/8AT8_HT9/8AT8_HT9_protein.pdb,posex_set/posex_self_docking_set/8AT8_HT9/8AT8_HT9_ligand_start_conf.sdf
8IND_6JI,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@]132,MTPIHILAFPFPAKGHINPLLHLCNRLASKGFKITLITTVSTLKSVKTSKANGIDIESIPDGIPQEQNHQIITVMEMNMELYFKQFKASAIENTTKLIQKLKTKNPLPKVLIYDSSMPWILEVAHEQGLLGASFFTQPCSVSAIYYHMLQGTIKLPLENSENGMVSLPYLPLLEIKDLPGVQQFEDNSEAVAELLADQFSNIDDVDYVLFNTFDALEIEVVNWMGSKWPILTVGPTAPTSMFFLDKKQKNYEDGRSINYLFETNTEVCMKWLDQREIDTVIYVSFGSLASLTEEQMEQVSQALIRSNCYFLWVVREEEENKLPKDFKETTSKKKGLVINWCPQLDVLAHKSVACFMTHCGWNSTLEALCSGVPMICMPQWADQTTNAKLIEHVWKIGVGVNKSDENGIVKREEIEDCIRQVIESERGKELKRNAIKWKELAKEAVSEGGSSCNNIQEFSSSLLFN,posex_set/posex_self_docking_set/8IND_6JI/8IND_6JI_protein.pdb,posex_set/posex_self_docking_set/8IND_6JI/8IND_6JI_ligand_start_conf.sdf
8D5H_HHR,Nc1nc2ncc(CO)nc2c(=O)[nH]1,QGMAKVKIVGILNVTPNSFHDGGRFVETDKAVVRARELLSQGADIIEIGGESTGPGSNTITADEELARIVPVIRAIRSSLPDANIAVDTYKAEVARKALELGATMINDVSAGRADPKLFGVVARSNAQIVLMYSKDTDPHTSFDERQYVDVVRTVYDFLAERKKAAMSAGIPADRIILDTGLGHFVSSDPQYSFQLLAHLSDFQDLGCKLFLSPSRKSFLAGNELLKTADRLPGTIAASAIAVLHGADYIRTHDVLEVRRGCEIATAINQPPER,posex_set/posex_self_docking_set/8D5H_HHR/8D5H_HHR_protein.pdb,posex_set/posex_self_docking_set/8D5H_HHR/8D5H_HHR_ligand_start_conf.sdf
9GJ1_A1IME,Cc1ccnc2cc(C(=O)NC[C@@H](N)C(=O)O)sc12,GSPDDNHLSIVTLEEAPFVIVEDIDPLTETCVRNTVPCRKFVKINNSTNEGMNVKKCCKGFCIDILKKLSRTVKFTYDLYLVTNGKHGKKVNNVWNGMIGEVVYQRAVMAVGSLTINEERSEVVDFSVPFVETGISVMVSRGTQVTGLSDKKFQRPHDYSPPFRFGTVPNGSTERNIRNNYPYMHQYMTRFNQRGVEDALVSLKTGKLDAFIYDAAVLNYKAGRDEGCKLVTIGSGYIFATTGYGIALQKGSPWKRQIDLALLQFVGDGEMEELETLWLTGICHN|MSTRLKIVTIHQEPFVYVKPTLSDGTCKEEFTVNGDPVKKVICTGPNDTSPGSPRHTVPQCCYGFCIDLLIKLARTMNFTYEVHLVADGKFGTQERVNNSNKKEWNGMMGELLSGQADMIVAPLTINNERAQYIEFSKPFKYQGLTILVKKGTRITGINDPRLRNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAIQAVRDNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPWKQNVSLSILKSHENGFMEDLDKTWVRYQECDS,posex_set/posex_self_docking_set/9GJ1_A1IME/9GJ1_A1IME_protein.pdb,posex_set/posex_self_docking_set/9GJ1_A1IME/9GJ1_A1IME_ligand_start_conf.sdf
8JAB_U0X,O[C@@H]1[C@@H](O)[C@@H](O[C@H]2O[C@H](CF)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CF)[C@H]1O,VVMSRGRIPRLGAAVLVALTTAAAACGADSQGLVVSFYTPATDGATFTAIAQRCNQQFGGRFTIAQVSLPRSPNEQRLQLARRLTGNDRTLDVMALDVVWTAEFAEAGWALPLSDDPAGLAENDAVADTLPGPLATAGWNHKLYAAPVTTNTQLLWYRPDLVNSPPTDWNAMIAEAARLHAAGEPSWIAVQANQGEGLVVWFNTLLVSAGGSVLSEDGRHVTLTDTPAHRAATVSALQILKSVATTPGADPSITRTEEGSARLAFEQGKAALEVNWPFVFASMLENAVKGGVPFLPLNRIPQLAGSINDIGTFTPSDEQFRIAYDASQQVFGFAPYPAVAPGQPAKVTIGGLNLAVAKTTRHRAEAFEAVRCLRDQHNQRYVSLEGGLPAVRASLYSDPQFQAKYPMHAIIRQQLTDAAVRPATPVYQALSIRLAAVLSPITEIDPESTADELAAQAQKAIDGMGLLP,posex_set/posex_self_docking_set/8JAB_U0X/8JAB_U0X_protein.pdb,posex_set/posex_self_docking_set/8JAB_U0X/8JAB_U0X_ligand_start_conf.sdf
7XFA_D9J,Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(Cl)c(F)c4)nn3)[C@H]2O)n(-c2cc(Cl)ccc2C(F)(F)F)n1,MGSSHHHHHHSSGETVRFQGHMGAPAGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_self_docking_set/7XFA_D9J/7XFA_D9J_protein.pdb,posex_set/posex_self_docking_set/7XFA_D9J/7XFA_D9J_ligand_start_conf.sdf
8CAA_U3O,C[C@@H](Sc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1Cl)C(=O)O,GPRSVASSKLWMLEFSAFLEQQQDPDTYNKHLFVHIGQSSPSYSDPYLEAVDIRQIYDKFPEKKGGLKDLFERGPSNAFFLVKFWADLNTNIEDEGSSFYGVSSQYESPENMIITCSTKVCSFGKQVVEKVETEYARYENGHYSYRIHRSPLCEYMINFIHKLKHLPEKYMMNSVLENFTILQVVTNRDTQETLLCIAYVFEVSASEHGAQHHIYRLVKE,posex_set/posex_self_docking_set/8CAA_U3O/8CAA_U3O_protein.pdb,posex_set/posex_self_docking_set/8CAA_U3O/8CAA_U3O_ligand_start_conf.sdf
7EVV_JE6,Cc1cc(N2CC[C@@](C#N)(C3CC3)C2=O)cc(NC(=O)Cc2ccccc2)n1,GAMVTAKKDENFSEWYTQAIVRSEMIEYYDISGCYIMRPWAFHIWEKVQRFFDDEIKKMGVENSYFPMFVSRHKLEKEKDHVEGFSPEVAWVTHYGDSPLPEKIAIRPTSETIMYPAYAKWIRSHRDLPLKLNQWCSVVRWEFKQPTPFLRTREFLWQEGHTAHATEEEAWELVLDILELYRRWYEECLAVPVIKGEKSEGEKFAGGKKTTTVEAFIPENGRGIQAATSHLLGTNFAKMFEIEFEDEEGHKRLVHQTSWGCTTRSLGVMIMTHGDDKGLVIPPRVASVQVVIIPILFKDENTGEILGKCRELKTMLEKADIRVRIDDRSNYTPGWKYNHWEVKGVPLRLELGPKDLAKGTARVVRRDTGEAYQISWADLAPKLLELMEGIQRSLFEKAKARLHEGIEKISTFDEVMPALNRKHLVLAPWCEDPESEEQIKKETQKLSEIQAIEAGDSEQVMTGAMKTLCIPFDQPPMPEGTKCFYTGKPAKRWTLWGRSY,posex_set/posex_self_docking_set/7EVV_JE6/7EVV_JE6_protein.pdb,posex_set/posex_self_docking_set/7EVV_JE6/7EVV_JE6_ligand_start_conf.sdf
8CNE_Q5L,CC(C)NC(=O)c1cc[nH]n1,GHMASMSRRRVVITGMGMLSPLGLDVPSSWEGILAGRSGIAPIEHMDLSAYSTRFGGSVKGFNVEEYLSAKEARKLDLFIQYGLAASFQAVRDSGLEVTDANRERIGVSMGSGIGGLTNIENNCRSLFEQGPRRISPFFVPGSIINMVSGFLSIHLGLQGPNYALTTAATTGTHSIGMAARNIAYGEADVMVAGGSEMAACGLGLGGFGAARALSTRNDEPTRASRPWDRDRDGFVLSDGSGALVLEELEHARARGARIYAELVGFGMSGDAFHMTAPPEDGAGAARCMKNALRDAGLDPRQVDYINAHGTSTPAGDIAEIAAVKSVFGEHAHALSMSSTKSMTGHLLGAAGAVEAIFSVLALRDQVAPPTINLDNPDEGCDLDLVAHEAKPRKIDVALSNSFGFGGTNGTLVFRRFAD,posex_set/posex_self_docking_set/8CNE_Q5L/8CNE_Q5L_protein.pdb,posex_set/posex_self_docking_set/8CNE_Q5L/8CNE_Q5L_ligand_start_conf.sdf
7SCP_8S6,C[C@H](CC(=O)O)NC(=O)C(=O)O,MGSSHHHHHHSSGLVPRGSHMKETAAAKFERQHMDSPDLGTGGGSGIEGRMQIDEQPGNAIGAAVEGFDHATASDADIDALKSTIYTKKIAVLKGQDLSPQQFLALGKRLGRPEAYYEPMYQHPEVTEIFVSSNVPENGKQIGVPKTGKFWHADYQFMPDPFGITLIYPQVIPEKNRGTYFIDMGRAYDRLPEDLKKEISGTYCRHSVRKYFKIRPHDVYRPISEIIEEVERKTPAVVQPTTFTHPMTGETVLYISEGFTVGIEDQDGKPLDEELLKRLFDATGQLDESFEHDNIHLQSFEQGDLLVWDNRSLIHRARHTTTPEPTVSYRVTVHDERKLHDGIQAA,posex_set/posex_self_docking_set/7SCP_8S6/7SCP_8S6_protein.pdb,posex_set/posex_self_docking_set/7SCP_8S6/7SCP_8S6_ligand_start_conf.sdf
7OLP_AKG,O=C(O)CCC(=O)C(=O)O,STSKDHVKSQIPRLSAINDLHKIWPTVEEHGAAIIESFLSLDIVRRLNEEVDPFVKIEPIPAAKTKDHPNHILSTTTRLVNVLAPISKAYREDVLNSKVLHRICSDAFHVYGDYWVLMGAVMELAPSNPAQPLHRDMRFSHPIVEYLKPDAPATSINFLVALSPFTAENGATHVILGSHKWQNLSNVSMDATVRALMNPGDALLITDSTIHCGGAETTGTETRRLLTITMGISQLTPLESNLAVPRPVIESLTPLAQRLLGWASQRSAAPRDIGLLTIRGNSIEKTMNLKAEQPLHDDEAEPLCRETIA,posex_set/posex_self_docking_set/7OLP_AKG/7OLP_AKG_protein.pdb,posex_set/posex_self_docking_set/7OLP_AKG/7OLP_AKG_ligand_start_conf.sdf
7H6K_K34,c1n[nH]c(-c2nccs2)n1,GAMAPSYRVKRMDIAKNDEECVVNAANPRGLPGDGVCKAVYKKWPESFKNSATPVGTAKTVMCGTYPVIHAVGPNFSNYTESEGDRELAAAYREVAKEVTRLGVNSVAIPLLSTGVYSGGKDRLTQSLNHLFTAMDSTDADVVIYCRDKEWEKKISEAIQMRT,posex_set/posex_self_docking_set/7H6K_K34/7H6K_K34_protein.pdb,posex_set/posex_self_docking_set/7H6K_K34/7H6K_K34_ligand_start_conf.sdf
7RXO_80E,COC(=O)c1ccc(NCCc2c[nH]c3ccccc23)c(C(=O)O)c1,MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_self_docking_set/7RXO_80E/7RXO_80E_protein.pdb,posex_set/posex_self_docking_set/7RXO_80E/7RXO_80E_ligand_start_conf.sdf
8B8N_AQG,CCN(CC)C(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1,VFHKIRNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHETEVLLKVLDKAHRNYSESFFEAASMMSKLSHKHLVLNYGVCFCGDENILVQEFVKFGSLDTYLKKNKNCINILWKLEVAKQLAAAMHFLEENTLIHGNVCAKNILLIREEDRKTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDRHQLPAPKAAELANLINNCMDYEPDHRPSFRAIIRDLNSLFTPDLVPRGSHHHHHH,posex_set/posex_self_docking_set/8B8N_AQG/8B8N_AQG_protein.pdb,posex_set/posex_self_docking_set/8B8N_AQG/8B8N_AQG_ligand_start_conf.sdf
7ZIF_IWA,Cn1c(=O)[nH]c(=O)c2c1nc(Sc1nc3ccc(NC(=O)CC[C@@H](N)C(=O)O)cc3[nH]1)n2Cc1ccccc1,MKHHHHHHHGAAGTSLYKKAGENLYFQGSVPWFPKKISDLDHCANRVLMYGSELDADHPGFKDNVYRKRRKYFADLAMNYKHGDPIPKVEFTEEEIKTWGTVFQELNKLYPTHACREYLKNLPLLSKYCGYREDNIPQLEDVSNFLKERTGFSIRPVAGYLSPRDFLSGLAFRVFHCTQYVRHSSDPFYTPEPDTCHELLGHVPLLAEPSFAQFSQEIGLASLGASEEAVQKLATCYFFTVEFGLCKQDGQLRVFGAGLLSSISELKHALSGHAKVKPFDPKITCKQECLITTFQDVYFVSESFEDAKEKMREFTKTIKRPFGVKY,posex_set/posex_self_docking_set/7ZIF_IWA/7ZIF_IWA_protein.pdb,posex_set/posex_self_docking_set/7ZIF_IWA/7ZIF_IWA_ligand_start_conf.sdf
7H0B_A1AMD,CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3C#N)cc12)c1ccc2c(n1)OCCO2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_self_docking_set/7H0B_A1AMD/7H0B_A1AMD_protein.pdb,posex_set/posex_self_docking_set/7H0B_A1AMD/7H0B_A1AMD_ligand_start_conf.sdf
8TFO_MEV,C[C@@](O)(CCO)CC(=O)[O-],MHHHHHHGSMSNLRHLRVSAPGKIILHGEHAVVYQKTAVALSLGLRTRLDLTETTDGRISIIMDKFLQHTSWSVEELSKIIDKVKIDANNPETELDQELVEDLRMMTSGHHYQNGDGPAVGNPQAYSTQSVALVGFLYILVKLCKFSGKQRPPSIQISISSDIAISAGLGSSAAFAVCLSASLLSYLGIIVCDRKNCADVDGKLVPSADQLALINHWAFMVEKIVHGSASGVDNAVSTYGGSIKYRNNELTRIGSGLKLDVLIVDTHVQRDTKKMLDIVRHRRKLYPAITNPVLEAIDGISETSSKILQHGDGLPTGEEYEVIADLVRMNQNLLSTLGVSHPKLDVICETASRFGQAGKLTGAGGGGCAIVVLDPDMRQFEHLRESIIAEYRRMEFKPHLAELGGPGVLFHPVPGS,posex_set/posex_self_docking_set/8TFO_MEV/8TFO_MEV_protein.pdb,posex_set/posex_self_docking_set/8TFO_MEV/8TFO_MEV_ligand_start_conf.sdf
7Q7I_9I8,COc1cc(-c2ccc(O)cc2)cc2cnc(Nc3cnn(C)c3)nc12,MHHHHHHDYKDDDDKENLYFQGRDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQSIVTHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG,posex_set/posex_self_docking_set/7Q7I_9I8/7Q7I_9I8_protein.pdb,posex_set/posex_self_docking_set/7Q7I_9I8/7Q7I_9I8_ligand_start_conf.sdf
8W3W_A1AFO,COc1cc2c(OC[C@@H]3CCC(=O)N3)nccc2cc1C(N)=O,MHHHHHHGGENLYFQGENKSLEVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS,posex_set/posex_self_docking_set/8W3W_A1AFO/8W3W_A1AFO_protein.pdb,posex_set/posex_self_docking_set/8W3W_A1AFO/8W3W_A1AFO_ligand_start_conf.sdf
7NWA_UTT,CCCc1cc(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2[nH]1,GPGMKDCSNGCSAECTGEGGSKEVVGTFKAKDLIVTPATILKEKPDPNNLVFGTVFTDHMLTVEWSSEFGWEKPHIKPLQNLSLHPGSSALHYAVELFEGLKAFRGVDNKIRLFQPNLNMDRMYRSAVRATLPVFDKEELLECIQQLVKLDQEWVPYSTSASLYIRPTFIGTEPSLGVKKPTKALLFVLLSPVGPYFSSGTFNPVSLWANPKYVRAWKGGTGDCKMGGNYGSSLFAQCEAVDNGCQQVLWLYGEDHQITEVGTMNLFLYWINEDGEEELATPPLDGIILPGVTRRCILDLAHQWGEFKVSERYLTMDDLTTALEGNRVREMFGSGTACVVCPVSDILYKGETIHIPTMENGPKLASRILSKLTDIQYGREERDWTIVLS,posex_set/posex_self_docking_set/7NWA_UTT/7NWA_UTT_protein.pdb,posex_set/posex_self_docking_set/7NWA_UTT/7NWA_UTT_ligand_start_conf.sdf
7POM_7VZ,COC(=O)c1cc(S(N)(=O)=O)c(SC2CCCCC2)cc1Cl,GPDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFSPALRPLELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFQQTVMLSAKQLHTLSDTLWGPGDSRLQLNFRATQPLNGRVIEASFP,posex_set/posex_self_docking_set/7POM_7VZ/7POM_7VZ_protein.pdb,posex_set/posex_self_docking_set/7POM_7VZ/7POM_7VZ_ligand_start_conf.sdf
7XSH_Z8T,OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O,MGSSHHHHHHSSGLVPRGSHMQENKEKDRTPSSKHLTDNILQPKRSSDFMAFKYEYSTVDLYREFSESIMDKARSEVEILESVNRQGRYKPNVESLKLHEVPEWFEDAKLGIFLDWGPWSVPGYAPLKGAEASTGGSYPDWYEFLMDNLYKEYHDEVWGADFRRDDFLPLLTGENFNSEEYMLLAVNSGAKYFVPFTKHHAGWTMWESEFTKRNAVEMGPGRDIYKELIEAGKKYDMKMGFYFSVSEWEYPVIVDQNLSQWDPVKNLAIFQDALGQIPRATPLASYFPALHDRMISGKIPVKDYFADYMIPSFKEAVDKYDPDLVWYDGGWGSPVSISRTMETSAYFYNQAEGKKDVVINNRAGSSLSEDDLIKVRDLMDSGKRDEAMKIYLSGQQLGDYGTPEFTIGDVDIQSKWEVCRSISPAFGYNWQDDEASSLSGEELIKLFVDIVANNGNLLLVISPDGSGKLPDIQKDRLLELGDWMKVNAESIHNTRPWKVQKENDKFFTKSKDGKSLFVHCTNWPGENLIINTPIEEGIKGIKLLGSDINLQFTKASNGNLEIPIPKDFQNNPSLISKYVWTFKIDLN,posex_set/posex_self_docking_set/7XSH_Z8T/7XSH_Z8T_protein.pdb,posex_set/posex_self_docking_set/7XSH_Z8T/7XSH_Z8T_ligand_start_conf.sdf
8IVS_RXF,CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1,METDNVELAQSKRKVVLAEQGSFYIGGRTVTGPGKFDPSKPVIPYSNEGATFYINQMYVNFQAPVRPRGLPLVFWHGGGLTGHIWESTPDGRPGFQTLFVQDRHTVYTIDQPGRGRGNIPTFNGPFGQLEEESIVNTVTGNSSKEGAWVRDRLGPAPGQFFENSQFPRGYEDNYFKEMGFSPSISSDEIVDAVVKLVTHIGPCVLVTHAASGVLGMRVATHAKNVRGIVAYEPATSIFPKGKVPEIPPLADKKSQIFPPFEIQESYFKKLAKIPIQFVFGDNIPKNPKSAYWFLDWWRVTRYAHSLSLEAINKLGGQASLLDLPTAGLRGNTAFPFTDRNNVQVASLLSDFLGKHGLDQNESLEHHHHHH,posex_set/posex_self_docking_set/8IVS_RXF/8IVS_RXF_protein.pdb,posex_set/posex_self_docking_set/8IVS_RXF/8IVS_RXF_ligand_start_conf.sdf
7GZV_A1AK3,CC(C)[C@H](Nc1ncnc2[nH]c(C(=O)N[C@H]3CCN(C)C3)cc12)c1ccc2c(c1)S(=O)(=O)CCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_self_docking_set/7GZV_A1AK3/7GZV_A1AK3_protein.pdb,posex_set/posex_self_docking_set/7GZV_A1AK3/7GZV_A1AK3_ligand_start_conf.sdf
8C0Q_SWU,Cc1cc(=O)oc2cc(CS(N)(=O)=O)ccc12,GMSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK,posex_set/posex_self_docking_set/8C0Q_SWU/8C0Q_SWU_protein.pdb,posex_set/posex_self_docking_set/8C0Q_SWU/8C0Q_SWU_ligand_start_conf.sdf
8V6S_YG8,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H](n3ccnc3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,MHHHHHHSSGVDLGTENLYFQSNANQLKSIDLNIEGSKVTVKAGDIFLEPGLKAIAFNEYFDTIVNDRIISAHSLNGTFINLHLPSTITQLDNHITNYPFDSDELSSFNKSRQEGKRQRFKIGTLCIYDDFILTAFSKFDAQNKAVLTMPEYLEFLINFWDKINKVYAQQSVSTPIFGSGITRIKEHKNITDEDLLKIMLWTFRISEMRFKYPAKLTIVIHKDKINTINLLDIKTAKNGL,posex_set/posex_self_docking_set/8V6S_YG8/8V6S_YG8_protein.pdb,posex_set/posex_self_docking_set/8V6S_YG8/8V6S_YG8_ligand_start_conf.sdf
7L5O_R1L,CC(C)(/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1,GLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES,posex_set/posex_self_docking_set/7L5O_R1L/7L5O_R1L_protein.pdb,posex_set/posex_self_docking_set/7L5O_R1L/7L5O_R1L_ligand_start_conf.sdf
7OF8_VCQ,O=C(O)[C@@](O)(c1ccccc1)C1CCCC1,GPKVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_self_docking_set/7OF8_VCQ/7OF8_VCQ_protein.pdb,posex_set/posex_self_docking_set/7OF8_VCQ/7OF8_VCQ_ligand_start_conf.sdf
7B4X_SWT,Cc1ccc(Sc2ccc3n[nH]c(=O)n3n2)cc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_self_docking_set/7B4X_SWT/7B4X_SWT_protein.pdb,posex_set/posex_self_docking_set/7B4X_SWT/7B4X_SWT_ligand_start_conf.sdf
7WDT_NGY,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)O)O[C@@H]1O,MAAESSTSTVSNLATMATVTASGREVSSGFGPELAADNQDLPDNPTDKSVHNASGASRWSADRGSGPWWLAYEFPGEATISSVNIAWGNTYATNYSIQTSDDGSNWTDVKTGLKATAQAQWVKTTFDTPIKTRHIRMIATTKSQSWSLSVWEMRTMGTISAVATDPLSRLTPRPLYAQSADGEAFELKKNTCVSVSDGSLLPAVDVMRDELGTSYGLKLAEGTNCPITFTLDENLDVTGHVGSAQSITADEAYTIVSDADSVTVKARSATAGIWAAQTLLQLIGPWTNSTVKLADVAFIPAVNIADAPRYQWRGVLVDPARSFYPLDEMKQMIDVMSAYKMNTLHLHLSEDEGFRVEITNDGRADGDTTDYTQLAIKSGAISYQSAWTSNWSPAQDGRTGYWTQSEFIELVAYAADHGIAIVPEIDGPGHSFSLLHGLAELNTGNSNPKPAAGEDTPAFIQSAQGRSSLATDADITYTVLGHIMDQLDGMIDKGIKASTMPASELKRMYFHLGGDELFLSGGAGNKTERLQEYLGRSGALVKERDKTTIVWNDGLDAVDQIPEGSVVQHWTGNAANNASIQKLLNQRNGKIIMSPAGNTYFPQRPGTETTGVTWACGACTTSNFYQWNPTSSAGTTEDKVLGVEDALWSEHLRSLNDAEFLMYTRMMATAEVGWTQQNRKDYDNWNKRVGDIAIDLMNRGANFHKATEVTSWKGSYAAVDAAEQKVTDGKVLVGRYAEPGLTGTDGLSFTATYTAEGGTAVNLPVTPDMKQTYSQQQLKNGRLVVNGAHMNSIVDVYVTLPSDVLAADSEAVGRLDVSVSSSTYHHHHHH,posex_set/posex_self_docking_set/7WDT_NGY/7WDT_NGY_protein.pdb,posex_set/posex_self_docking_set/7WDT_NGY/7WDT_NGY_ligand_start_conf.sdf
7F5D_EUO,CNc1cc(-c2ccc3[nH]ccc3c2)nc(S(C)(=O)=O)n1,GPLGSVLTPLTEKDYEGLKRVLRSLQAHKMAWPFLEPVDPNDAPDYYGVIKEPMDLATMEERVQRRYYEKLTEFVADMTKIFDNCRYYNPSDSPFYQCAEVLESFFVQKLKGFKA,posex_set/posex_self_docking_set/7F5D_EUO/7F5D_EUO_protein.pdb,posex_set/posex_self_docking_set/7F5D_EUO/7F5D_EUO_ligand_start_conf.sdf
7UY4_SMI,CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@H](O[C@@H]2[C@H]1O)O[C@H](C)CC3(O)O,VIAEVSTQLSEVVGVIERHLEPTLLAVHLYGSAVDGGLKPHSDIDLLVTVTVRLDETTRRALINDLLETSASPGESEILRAVEVTIVVHDDIIPWRYPAKRELQFGEWQRNDILAGIFEPATIDIDLAILLTKAREHSVALVGPAAEELFDPVPEQDLFEALNETLTLWNSPPDWAGDDRNVVLTLSRIWYSAVTGKIAPKDVAADWAMERLPAQYQPVILEARQAYLGNEEDRLASRADQLEEFVHYVKGEITKVVG,posex_set/posex_self_docking_set/7UY4_SMI/7UY4_SMI_protein.pdb,posex_set/posex_self_docking_set/7UY4_SMI/7UY4_SMI_ligand_start_conf.sdf
7V0Z_OQ6,COC(=O)Nc1ccc(-c2cnn([C@H](CC3CC3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_self_docking_set/7V0Z_OQ6/7V0Z_OQ6_protein.pdb,posex_set/posex_self_docking_set/7V0Z_OQ6/7V0Z_OQ6_ligand_start_conf.sdf
8CVQ_OYH,O=C(O)c1ccc(Nc2c(-c3ccccc3)nc3cc(-c4ccccc4)ccn23)cc1C(=O)O,SGEGQDIWDMLDKGNPFQFYLTRVSGVKPKYNSGALHIKDILSPLFGTLVSSAQFNYCFDVDWLVKQYPPEFRKKPILLVHGDKREAKAHLHAQAKPYENISLCQAKLDIAFGTHHTKMMLLLYEEGLRVVIHTSNLIHADWHQKTQGIWLSPLYPRIADGTHKSGESPTHFKADLISYLMAYNAPSLKEWIDVIHKHDLSETNVYLIGSTPGRFQGSQKDNWGHFRLKKLLKDHASSMPNAESWPVVGQFSSVGSLGADESKWLCSEFKESMLTLGKESKTPGKSSVPLYLIYPSVENVRTSLEGYPAGGSLPYSIQTAEKQNWLHSYFHKWSAETSGRSNAMPHIKTYMRPSPDFSKIAWFLVTSANLSKAAWGALEKNGTQLMIRSYELGVLFLPSAFGLDSFKVKQKFFAGSQEPMATFPVPYDLPPELYGSKDRPWIWNIPYVKAPDTHGNMWVPS,posex_set/posex_self_docking_set/8CVQ_OYH/8CVQ_OYH_protein.pdb,posex_set/posex_self_docking_set/8CVQ_OYH/8CVQ_OYH_ligand_start_conf.sdf
8Z4R_A1D7Y,COc1cc(O)cc(C)c1O,MALELASTSEFRFDPERTPGLRHAKNLTDESTRELERVLEENHSNHHIFTTTEDHKGVYFHNHIAHHDITIWALGANPSTIRSQHDRNSLYQRQAMVIQDSVVKDMADPAVYKRCLGREENFLNYCRFFEDEINRIGYQAVLQKYLVDGSEIADDMLCRIYMGYVHGIIHIGMALEFKQARLLAEGFAQAAVHHDWWYTEYLTQSEELARKQEEPALPLSDLIDLARQDDAIRNCSTLYYHLQKRKVTGEMCLDLEPARDGVLKNAGPELRRVAARYRVDPNDLERATAELQNAAVYLTAGAQRPPHICAFDFFLLHSVTSSIGHTMFLAEPSLSNAQKARLLEYTGRVFLLSYAGQGSPEPRLDWLASHPSRLPNQGWDEVFDRACYHEDDGHMCKLIRCMAHAEETSRPYDHLPEFRVKQGLFLTAGIAAIDSGTDKPMDGTKHFDFIRGSGFKEAWERFPLRTGGLVNKL,posex_set/posex_self_docking_set/8Z4R_A1D7Y/8Z4R_A1D7Y_protein.pdb,posex_set/posex_self_docking_set/8Z4R_A1D7Y/8Z4R_A1D7Y_ligand_start_conf.sdf
8S98_ZRU,CNc1cc(Nc2cccnc2OC)nc2c(C(=O)NC3CC3)cnn12,NLSQLSFHRVDQKEITQLSHLGQGTRTNVYEGRLRVEGSGDPEEGKMDDEDPLVPGRDRGQELRVVLKVLDPSHHDIALAFYETASLMSQVSHTHLAFVHGVCVRGPENIMVTEYVEHGPLDVWLRRERGHVPMAWKMVVAQQLASALSYLENKNLVHGNVCGRNILLARLGLAEGTSPFIKLSDPGVGLGALSREERVERIPWLAPECLPGGANSLSTAMDKWGFGATLLEICFDGEAPLQSRSPSEKEHFYQRQHRLPEPSCPQLATLTSQCLTYEPTQRPSFRTILRDLTRL,posex_set/posex_self_docking_set/8S98_ZRU/8S98_ZRU_protein.pdb,posex_set/posex_self_docking_set/8S98_ZRU/8S98_ZRU_ligand_start_conf.sdf
7POQ_7WK,COc1cc(=O)n(C)c2c(OC[C@@H](O)C(C)(C)O)cccc12,MGSSHHHHHHSSGENLYFQGAMACSNEADSLTTSIDAPVTASIDLQSVSYTDLATQLNDVSDFGKMIILKDNGFNRQVHVSMDKRTKIQLDNENVRLFNGRDKDSTNFILGDEFAVLRFYRNGESISYIAYKEAQMMNEIAEFYAAPFKKTRAINEKEAFECIYDSRTRSAGKYPVSVKINVDKAKKILNLPECDYINDYIKTPQVPHGITESQTRAVPSEPKTVYVICLRENGSTVYPNEVSAQMQDAANSVYAVHGLKRYVNLHFVLYTTEYACPSGNADEGLDGFTASLKANPKAEGYDDQIYFLIRWGTWDNNILGISWLNSYNVNTASDFKASGMSTTQLMYPGVMAHELGHILGANHADDPKDLMYSKYTGYLFHLSEKNMDIIAKNLGWEIADGD,posex_set/posex_self_docking_set/7POQ_7WK/7POQ_7WK_protein.pdb,posex_set/posex_self_docking_set/7POQ_7WK/7POQ_7WK_ligand_start_conf.sdf
8AAU_LH0,CC(C)C(=O)Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1,SMPHRIFRPSDLIHGEVLGKGCFGQAIKVTHRETGEVMVMKELIRFDEETQRTFLKEVKVMRCLEHPNVLKFIGVLYKDKRLNFITEYIKGGTLRGIIKSMDSQYPWSQRVSFAKDIASGMAYLHSMNIIHRDLNSHNCLVRENKNVVVADFGLARLMVDEKTQPEGLRSLKKPDRKKRYTVVGNPYWMAPEMINGRSYDEKVDVFSFGIVLCEIIGRVNADPDYLPRTMDFGLNVRGFLDRYCPPNCPPSFFPITVRCCDLDPEKRPSFVKLEHWLETLRMHLAGHLPLGPQLEQLDRGFWETYRRGES,posex_set/posex_self_docking_set/8AAU_LH0/8AAU_LH0_protein.pdb,posex_set/posex_self_docking_set/8AAU_LH0/8AAU_LH0_ligand_start_conf.sdf
8C14_T0L,N#Cc1cc(-c2cc(C(=O)O)cc3[nH]ccc23)ccc1Cl,GSMGSKRQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGELKIADFGWSVHAPSSRRTTLCGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSSKPS,posex_set/posex_self_docking_set/8C14_T0L/8C14_T0L_protein.pdb,posex_set/posex_self_docking_set/8C14_T0L/8C14_T0L_ligand_start_conf.sdf