CataAI/PoseX · Datasets at Fast360

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