CataAI/PoseX · Datasets at AI快站

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