CataAI/PoseX · Datasets at Fast360

7VJT_7IJ

O=c1oc2cc(O)ccc2c2oc3ccc(O)c(CN4CCCCC4)c3c12

SNIGSGGSQIDGFVRTLRARPEAGGKVPVFVFHPAGGSTVVYEPLLGRLPADTPMYGFERVEGSIEERAQQYVPKLIEMQGDGPYVLVGWSLGGVLAYACAIGLRRLGKDVRFVGLIDAVRAGEEIPQTKEEIRKRWDRYAAFAEKTFNVTIPAIPYEQLEELDDEGQVRFVLDAVSQSGVQIPAGIIEHQRTSYLDNRAIDTAQIQPYDGHVTLYMADRYHDDAIMFEPRYAVRQPDGGWGEYVSDLEVVPIGGEHIQAIDEPIIAKVGEHMSRALGQIEADRTSEVGKQ

posex_set/posex_self_docking_set/7VJT_7IJ/7VJT_7IJ_protein.pdb

posex_set/posex_self_docking_set/7VJT_7IJ/7VJT_7IJ_ligand_start_conf.sdf

7P7W_NDG

CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O

MAHHHHHHGSDSEVNQEAKPEVKPEVKPETHINLKVSDGSSEIFFKIKKTTPLRRLMEAFAKRQGKEMDSLRFLYDGIRIQADQTPEDLDMEDNDIIEAHREQISSGLEVLFQGTMYYGFDIGGTKIEFGAFDADLVRVARERVATPTESYAAFLDAIVTLVNNADAEFGVKGTVGIGIPGIADVETGKLLTSNIPAAMGHTLQRDLEERLQRPVKIENDANCFALSEAWDEDLRGEPSVLGLILGTGVGGGLIFNGKVHSGRANIAGEIGHTRLPYDALKLLGMENAPIFPCGCKNSGCIDNYLSGRGFEQLYDHYFSEKLSAPEIIAHYEQGERRAVQHVERFMELLAICLANIFTCLDPHVVVLGGGLSNFELIYQELPKRLPAHLLHVAKLPKIIKARHGDAGGVRGAAFLNL

posex_set/posex_self_docking_set/7P7W_NDG/7P7W_NDG_protein.pdb

posex_set/posex_self_docking_set/7P7W_NDG/7P7W_NDG_ligand_start_conf.sdf

8CCL_U8O

Nc1nsc2ncccc12

MAHHHHHHMSTSQTVHDVIIIGSGPAGYTAAIYAARAQLKPLVFEGTQFGGALMTTTEVENYPGFREGITGPELMDQMREQALRFGADLRMEDVDAVQLEGPVKTVVVGDETHQARAVILAMGAAARHLGVPGEEALTGMGVSTCATCDGFFFRDQDIVVVGGGDSAMEEATFLTRFARSVTLIHRRDEFRASKIMLERARANEKITFLTNTEITQIEGDPKVTGVRLRDTVTGEESKLDVTGVFVAIGHDPRSELVRGQVELDDEGYVKVQGRTTYTSLDGVFAAGDLVDHTYRQAITAAGSGCAASIDAERWLAEQD

posex_set/posex_self_docking_set/8CCL_U8O/8CCL_U8O_protein.pdb

posex_set/posex_self_docking_set/8CCL_U8O/8CCL_U8O_ligand_start_conf.sdf

8KH3_VWF

N#Cc1ccc2[nH]nnc2c1

MAEAAQSIDQLIKARGKVYFGVATDQNRLTTGKNAAIIKADFGMVWPENSMQWDATEPSQGNFNFAGADYLVNWAQQNGKLIGAGCLVWHNFLPSWVSSITDKNTLINVMKNHITTLMTRYKGKIRTWDVVGEAFNEDGSLRQNVFLNVIGEDYIPIAFQTARAADPNAKLYIMDYNLDSASYPKTQAIVNRVKQWRAAGVPIDGIGSQMHLSAGQGAGVLQALPLLASAGTPEVSILMLDVAGASPTDYVNVVNACLNVQSCVGITVMGVADPDSAFASSTPLLFDGNFNPKPAYNAIVQDLQQGSIEGRGHHHHHH

posex_set/posex_self_docking_set/8KH3_VWF/8KH3_VWF_protein.pdb

posex_set/posex_self_docking_set/8KH3_VWF/8KH3_VWF_ligand_start_conf.sdf

8QYR_XB2

CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O

MVDAEMAAFGEAAPYLRKSEKERLEAQTRPFDLKKDVFVPDDKEEFVKATILSREGGKVTAETEHGKTVTVKEDQVLQQNPPKFDKIEDMAMLTFLHEPAVLYNLKERYASWMIYTYSGLFCVTINPYKWLPVYNAEVVAAYRGKKRSEAPPHIFSISDNAYQYMLTDRENQSILITGESGAGKTVNTKRVIQYFAVIAAIGDRSKKEQATGKGTLEDQIIQANPALEAFGNAKTVRNDNSSRFGKFIRIHFGATGKLASADIETYLLEKSRVIFQLKAERDYHIFYQILSNKKPELLDMLLITNNPYDYAFISQGETTVASIDDAEELMATDNAFDVLGFTTEEKNSMYKLTGAIMHFGNMKFKLKQREEQAEPDGTEEADKSAYLMGLNSADLLKGLCHPRVKVGNEYVTKGQNVQQVVYAKGALAKAVYERMFNWMVTRINATLETKQPRQYFIGVLDIAGFEIFDFNSFEQLCINFTNEKLQQFFNHHMFVLEQEEYKKEGIEWEFIDFGMDLQACIDLIEKPMGIMSILEEECMFPKATDMTFKAKLFDNHLGKSSNFQKPRNIKGKPEAHFSLIHYAGTVDYNIIGWLQKNKDPLNETVVDLYKKSSLKMLSSLFANYAGFDTPIEKGKGKAKKGSSFQTVSALHRENLNKLMTNLRSTHPHFVRCIIPNETKSPGVIDNPLVMHQLRCNGVLEGIRICRKGFPNRILYGDFRQRYRILNPAAIPEGQDIDSRKGAEKLLGSLDIDHNQYKFGHTKVFFKAGLLGLLEEMRDERL

posex_set/posex_self_docking_set/8QYR_XB2/8QYR_XB2_protein.pdb

posex_set/posex_self_docking_set/8QYR_XB2/8QYR_XB2_ligand_start_conf.sdf

7N54_08V

COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3

MARPKSEDKKQALLEAATQAIAQSGIAASTAVIARNAGVAEGTLFRYFATKDELINTLYLHLTQDWCQSIIMELDRSITDAKMMTRFLWNSWISWGLNHPARHRAIRQLAVSEKLTKETEQRADDMFPELRDHLHRNVLMVFMSDEYRAFGDGLFLALAETTMDFAARDPARAGEYIALGFEAMWRALAREEQ

posex_set/posex_self_docking_set/7N54_08V/7N54_08V_protein.pdb

posex_set/posex_self_docking_set/7N54_08V/7N54_08V_ligand_start_conf.sdf

7ELT_TYM

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)[C@@H](O)[C@H]1O

MSTPTGSRRIFSGVQPTSDSLHLGNALGAVAQWVGLQDDHDAFFCVVDLHAITIPQDPEALRRRTLITAAQYLALGIDPGRATIFVQSQVPAHTQLAWVLGCFTGFGQASRMTQFKDKSARQGSEATTVGLFTYPVLQAADVLAYDTELVPVGEDQRQHLELARDVAQRFNSRFPGTLVVPDVLIPKMTAKIYDLQDPTSKMSKSAGTDAGLINLLDDPALSAKKIRSAVTDSERDIRYDPDVKPGVSNLLNIQSAVTGTDIDVLVDGYAGHGYGDLKKDTAEAVVEFVNPIQARVDELTADPAELEAVLAAGAQRAHDVASKTVQRVYDRLGFLLLEHHHHHH

posex_set/posex_self_docking_set/7ELT_TYM/7ELT_TYM_protein.pdb

posex_set/posex_self_docking_set/7ELT_TYM/7ELT_TYM_ligand_start_conf.sdf

8FO4_Y4Q

CC1=NC(NN/C=C/Cc2ccccc2[N+](=O)[O-])=NC(=O)C1

QSALTQPPSASGSPGQSVTISCTGTSSDVGGSDSVSWYQQHPGKAPKLIIYEVSQRPSGVPNRFSGSKSGNTASLTVSGLQAEDDADYYCSSYGGDNNLFFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

posex_set/posex_self_docking_set/8FO4_Y4Q/8FO4_Y4Q_protein.pdb

posex_set/posex_self_docking_set/8FO4_Y4Q/8FO4_Y4Q_ligand_start_conf.sdf

9ETQ_A1H63

CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O

GSKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYSILSEVQQAVSQGSSDSQILDLSNRFYTLIPHDFGMKKPPLLNNADSVQAKAEMLDNLLDIEVAYSLLRGGSDDSSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHATTHNAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFKT

posex_set/posex_self_docking_set/9ETQ_A1H63/9ETQ_A1H63_protein.pdb

posex_set/posex_self_docking_set/9ETQ_A1H63/9ETQ_A1H63_ligand_start_conf.sdf

7H4B_K2S

Cc1n[nH]c(C)c1S(=O)(=O)N(C)C

QEQTGGSGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ

posex_set/posex_self_docking_set/7H4B_K2S/7H4B_K2S_protein.pdb

posex_set/posex_self_docking_set/7H4B_K2S/7H4B_K2S_ligand_start_conf.sdf

8QEV_CP

NC(=O)OP(=O)(O)O

SNASSVTSPSSPSDVKGKSDLKDFLAIDDFDTATIKTILDKASEVKALLKSGERNYLPFKGKSMSMIFAKPSMRTRVSFETGFFLLGGHALYLGPNDIQMGKREETRDVARVLSRYNDIIMARVFAHQDILDLANYSSVPVVNGLTDHNHPCQIMADALTMIEHIGQVEGTKVVYVGDGNNMVHSWLELASVIPFHFVCACPKGYEPDKERVSKAKQAGLSKIEITNDPKEAVIGADVVYSDVWASMGQKDEAEARRKAFQGFQVDEALMKLAGQKAYFMHCLPAERGVEVTNGVVEAPYSIVFPQAENRMHAQNAIMLHLLGF

posex_set/posex_self_docking_set/8QEV_CP/8QEV_CP_protein.pdb

posex_set/posex_self_docking_set/8QEV_CP/8QEV_CP_ligand_start_conf.sdf

8D5D_5DK

Cc1ncc(COP(=O)(O)O)c(/C=N/[C@H](CCCNC(=N)N)C(=O)O)c1O

MTDSIMQNYNQLREQVINGDRRFQHKDGHLCFEGVDLDALARQYPTPFYVFSEPEIIRNIHEIQQAFAAHKNTKTFFASKTCSVMGVLKAIRDAGICAEANSQYEVRKCLEIGFRGDQIVFNGVVKKPADLEYAIANDLYLINVDSLYELEHIDAISRKLKKVANVCVRVEPNVPSATHAELVTAFHAKSGLDLEQAEETCRRILAMPYVHLRGLHMHVGDQVPESEPFAKATKVLVDESRRLEEVLGIKFDLINVGGGIPVPYKYDDENGDPLKDNMYAGITAQDFADAVIREVHKWRTDVEICIEPGRKVTGSAAVLLTEVSCEKRKTNYDLNGNVECHVEWKFVDAGYSVLSDSQHFDWFFYVYNASRMTAAHDAWIKLAGPLCDGGDYFHMGVKGEEFLLPKETHVGDIVAFLDAGAYTIESQTVFNNRPRTGVVMIDKNGDTRLIRREDSYEDMVKYDIYLAAALEHHHHHH

posex_set/posex_self_docking_set/8D5D_5DK/8D5D_5DK_protein.pdb

posex_set/posex_self_docking_set/8D5D_5DK/8D5D_5DK_ligand_start_conf.sdf

7Q6U_963

COc1cc(C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O)cc(OC)c1O

SMQEEDTFRELRIFLRNVTHRLAIDKRFRVFTKPVDPDEVPDYVTVIKQPMDLSSVISKIDLHKYLTVKDYLRDIDLICSNALEYNPDRDPGDRLIRHRACALRDTAYAIIKEELDEDFEQLCEEIQESR

posex_set/posex_self_docking_set/7Q6U_963/7Q6U_963_protein.pdb

posex_set/posex_self_docking_set/7Q6U_963/7Q6U_963_ligand_start_conf.sdf

9FTC_A1IF6

CC(=O)N[C@H]([C@@H]1O[C@](O[P@](=O)(O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@@H]1NC(C)=O)[C@H](C)O

MGSSHHHHHHSSGLVPRGSHMNIAIIPARGGSKRIPRKNIKPFHSKPMIAWSILAAKKAGCFERIIVSTDDAEIAAVALEYGAEVPFTRPAEIANDYATTGEVISHAINWLINQQGQVPENVCCLYATAPFVEPDDLCQGLELLTFNKECQFVFSATRFSFPIQRAIKLDESGWVSMFHPEYQLTRSQDLEEAYHDAGQFYWGKANAWLNKLPIFAVHTQVVLLPSHRVQDIDTQDDWLRAEKLFTLR

posex_set/posex_self_docking_set/9FTC_A1IF6/9FTC_A1IF6_protein.pdb

posex_set/posex_self_docking_set/9FTC_A1IF6/9FTC_A1IF6_ligand_start_conf.sdf

8WBV_DNO

O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

GSMDITRFKEDLKAHLEEKIIPFWQSLKDDEFGGYYGYMDFNLNIDRKAQKGCILNSRILWFFSACYNVLKSEKCKEMAFHAFEFLKNKFWDKEYEGLFWSVSHKGVPVDVTKHVYVQAFGIYGLSEYYEASGDEEALHMAKRLFEILETKCKRENGYTEQFERNWQEKENRFLSENGVIASKTMNTHLHVLESYTNLYRLLKLDDVYEALEWIVRLFVDKIYKKGTGHFKVFCDDNWNELIKAVSYGFDIEASWLLDQAAKYLKDEKLKEEVEKLALEVAQITLKEAFDGQSLINEMIEDRIDRSKIWWVEAETVVGFFNAYQKTKEEKYLDAAIKTWEFIKEHLVDRRKNSEWLWKVNEDLEAVNMPIVEQWKCPYHNGRMCLEIIKRV

posex_set/posex_self_docking_set/8WBV_DNO/8WBV_DNO_protein.pdb

posex_set/posex_self_docking_set/8WBV_DNO/8WBV_DNO_ligand_start_conf.sdf

7PSO_EF2

O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1

MPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD

posex_set/posex_self_docking_set/7PSO_EF2/7PSO_EF2_protein.pdb

posex_set/posex_self_docking_set/7PSO_EF2/7PSO_EF2_ligand_start_conf.sdf

8RE0_A1H0D

O=C(O)c1cc(C(=O)O)c(-c2[nH]c(C(=O)O)cc2C(=O)O)c(C(=O)O)n1

DVPLTPSQFAKAKSENFDKKVILSNLNKPHALLWGPDNQIWLTERATGKILRVNPESGSVKTVFQVPEIVNDADGQNGLLGFAFHPDFKNNPYIYISGTFKNPKSTDKELPNQTIIRRYTYNKSTDTLEKPVDLLAGLPSSKDHQSGRLVIGPDQKIYYTIGDQGRNQLAYLFLPNQAQHTPTQQELNGKDYHTYMGKVLRLNLDGSIPKDNPSFNGVVSHIYTLGHRNPQGLAFTPNGKLLQSEQGPNSDDEINLIVKGGNYGWPNVAGYKDDSGYAYANYSAAANKSIKDLAQNGVKVAAGVPVTKESEWTGKNFVPPLKTLYTVQDTYNYNDPTCGEMTFICWPTVAPSSAYVYKGGKKAITGWENTLLVPSLKRGVIFRIKLDPTYSTTYDDAVPMFKSNNRYRDVIASPDGNVLYVLTDTAGNVQKDDGSVTNTLENPGSLIKFTYKAK

posex_set/posex_self_docking_set/8RE0_A1H0D/8RE0_A1H0D_protein.pdb

posex_set/posex_self_docking_set/8RE0_A1H0D/8RE0_A1H0D_ligand_start_conf.sdf

7OSO_0V1

OCC[C@H](O)CO

FNYKPTPWTRADALKVHSDDPTTTQPLVDVAFPVMSEEVFIWDTMPLRDFDGDIVSVNGWCVIFTLTADRNTNNPDFQDENGNYDIKRDWEDRHGRARICYWYSRTGKDWIFGGRVMAEGVSPTTREWAGTPILLNDEGDIDLYYTCVTPGATIAKVRGKIVTSDEGVSLEGFQHVKSLFSADGKIYQTEEQNAYWNFRDPSPFIDKNDGKLYMLFEGNVAGSRGTHEITQEDMGSVPPGYENVGGARYQVGCIGLAVAKDLSGDEWEILPPLITAVGVNDQTERPHFVFQEGKYYLFTISHKYTFADNLTGPDGVYGFVSNQLTGPYTPMNSSGLVLGNPSSQPFQTYSHYVMPNGLVTSFIDSVPWEGEKFRIGGTEAPTVKILLKGDRSFVVDSFDYGYIPAMKDIILK

posex_set/posex_self_docking_set/7OSO_0V1/7OSO_0V1_protein.pdb

posex_set/posex_self_docking_set/7OSO_0V1/7OSO_0V1_ligand_start_conf.sdf

8DKO_TFB

O=C(O)[C@@H]1CCCO1

SRPQSTLRRAITAAYRRPETECLPPLVEAATQSKEIRDAAASTARKLIEALRGKHSGSGSSGSMMGEQFVTGETIREALKRSKELEEKGFSYSYDMLGEAATTAADAERYYRDYESAIHAIGKASAGRGIYEGPGISIKLSALHPRYSRAQAARVMGELLPRVKALALLAKNYDIGLNIDAEEADRLELSLDLLEVLCLDGDLSGWNGMGFVVQAYGKRCPFVLDFIIDLARRSGRRIMVRLVKGAYWDAEIKRAQLDGLADFPVFTRKIHTDVSYIACAAKLLAATDVVFPQFATHNAQTLAAIYHMAGKDFHVGKYEFQCLHGMGEPLYEEVVGRGKLDRPCRIYAPVGTHETLLAYLVRRLLENGANSSFVHRINDPKVSIDELIADPVEVVRAMPVVGAKHDRIALPA

posex_set/posex_self_docking_set/8DKO_TFB/8DKO_TFB_protein.pdb

posex_set/posex_self_docking_set/8DKO_TFB/8DKO_TFB_ligand_start_conf.sdf

8UG1_WNH

OC[C@H]1CCN1c1nc(-c2cnn(C3CCNCC3)c2)cc(C(F)(F)F)n1

MSLGSSHHHHHHSSGLVPRGSQILCVGLVVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTVLSLLGAPCAFMGSMAPGHVADFLVADFRRRGVDVSQVAWQSKGDTPSSCCIINNSNGNRTIVLHDTSLPDVSATDFEKVDLTQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELFQLFGYGDVVFVSKDVAKHLGFQSAEEALRGLYGRVRKGAVLVCAWAEEGADALGPDGKLLHSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGIV

posex_set/posex_self_docking_set/8UG1_WNH/8UG1_WNH_protein.pdb

posex_set/posex_self_docking_set/8UG1_WNH/8UG1_WNH_ligand_start_conf.sdf

8WCH_PCA

O=C1CC[C@@H](C(=O)O)N1

MGSSHHHHHHSSGLVPRGSHMAENVKIGVLYPLTGPVAQVGKDAVAAVQTALDIINNSHNIPGMPLAKDAGLKGLGGGKISIVVGDHGGKPDIGVGETEKMLNSDKVHAMFGAYYSSVTGAASQVSERAGIPWVNGESTSPKLTTRGFKYFFRVTPHDGEFTQLMFEFMDDFNTKNGNKLKTLGIIHEDTLWGADSGGTQNTMAKDKGYKVVEKISYKAKTTSLSSEVQRLKAKNPDVLLPSSYTADAYLFLNTAKELDYNPKLLVAQNAGYTDPKFIATMGSKAEGVITRSPFNTDLATTIPMIGTVNEIFKTHSGGRDLSDVPARAFTGFMALANAINNAGSTDPEKIRQALVDLDMSSDSLIVPYRGIKFGADGQNEKTRGILMQVQDGKYCTVYPFELAACKLQYPMPTWSQK

posex_set/posex_self_docking_set/8WCH_PCA/8WCH_PCA_protein.pdb

posex_set/posex_self_docking_set/8WCH_PCA/8WCH_PCA_ligand_start_conf.sdf

8CSC_C5P

Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1

MGLAVFLPPYPFRGLKAPYLWMFYKYLHCATDSILFITGEDYLSVTDDEAQRARWEFDPASMASLGYELPNAQSMACHEYLTLDNAFYETLLSRHHHDPIKSFSAFLTERIPDLETELHALLDSKKGIIDQIDTFISICNCPSLEHVARTLGKEVMHIEIGPLRAPMYRNTAYLDFAGVNGGTEASARYEKCQAEFDIKASLGDLHNYFLEVLPPAEAATHSAAGVVLQVEDNSNLIAYNHDFTNISLLSYVRQRYEKEDILVRAHPGSLFRLRDDVFTIDDSANSLAFINQCNEVFTINSSVGLEAILTGKKTTVLGDCSYAFINELAGASATVNAAAFYLFSYLVPFDLVFNQEYLKFRLGHPEEREIVGKHIEFYSADMPGSLSQAAHSLSSLINEAISLEHHHHHH

posex_set/posex_self_docking_set/8CSC_C5P/8CSC_C5P_protein.pdb

posex_set/posex_self_docking_set/8CSC_C5P/8CSC_C5P_ligand_start_conf.sdf

9C1W_XOO

Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CNCCc2ccc(C=O)c(O)c2)cc1

NEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAECQLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAAAEDPMDYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAMKILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFHLSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEGISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFELILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQKKLLPPFKPQVTSEVDTRYFDDEFTAQS

posex_set/posex_self_docking_set/9C1W_XOO/9C1W_XOO_protein.pdb

posex_set/posex_self_docking_set/9C1W_XOO/9C1W_XOO_ligand_start_conf.sdf

8UCB_X1T

CCOc1cc2nc(C[C@H]3CCOC3)cn2cc1NC(=O)c1cccc(C(F)F)n1

ENKSLEVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS

posex_set/posex_self_docking_set/8UCB_X1T/8UCB_X1T_protein.pdb

posex_set/posex_self_docking_set/8UCB_X1T/8UCB_X1T_ligand_start_conf.sdf

8OU6_W26

Cc1cc(N)ccc1C(=O)N[C@H]1CCC(=O)NC1=O

ASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPA

posex_set/posex_self_docking_set/8OU6_W26/8OU6_W26_protein.pdb

posex_set/posex_self_docking_set/8OU6_W26/8OU6_W26_ligand_start_conf.sdf

7G9K_MPD

C[C@H](O)CC(C)(C)O

MLKKKQLTVLDLHPGAGKTRRVLPEIVREAIKKRLRTVILAPTRVVAAEMEEALRGLPVRYMTTAVNVTHSGTEIVDLMCHATFTSRLLQPIRVPNYNLNIMDEAHFTDPSSIAARGYISTRVEMGEAAAIFMTATPPGTRDAFPDSNSPIMDTEVEVPERAWSSGFDWVTDHSGKTVWFVPSVRNGNEIAACLTKAGKRVIQLSRKTFETEFQKTKNQEWDFVITTDISEMGANFKADRVIDSRRCLKPVILDGERVILAGPMPVTHASAAQRRGRIGRNPNKPGDEYMYGGGCAETDEGHAHWLEARMLLDNIYLQDGLIASLYRPEADKVAAIEGEFKLRTEQRKTFVELMKRGDLPVWLAYQVASAGITYTDRRWCFDGTTNNTIMEDSVPAEVWTKYGEKRVLKPRWMDARVCSDHAALKSFKEFAAGKR

posex_set/posex_self_docking_set/7G9K_MPD/7G9K_MPD_protein.pdb

posex_set/posex_self_docking_set/7G9K_MPD/7G9K_MPD_ligand_start_conf.sdf

9BKN_A1AQK

CCn1c(CO)nn(-c2cc3c(C(C)C)cn(-c4ccccc4C)c(=O)c3cc2F)c1=O

GATGDERFYAEHLMPTLQGLLDPESAHRLAVRFTSLGLLPRARFQDSDMLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSVTPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVNLGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSLQGKAELRRLLTKVLQERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGFGGVTDAIGADHRR

posex_set/posex_self_docking_set/9BKN_A1AQK/9BKN_A1AQK_protein.pdb

posex_set/posex_self_docking_set/9BKN_A1AQK/9BKN_A1AQK_ligand_start_conf.sdf

7R5L_I4S

Cc1nc(=O)c(C)n[nH]1

MGSSYHHHHHHSSGENLYFQHMKHGRVFIIKSYSEDDIHRSIKYNIWCSTEHGNKRLDAAYRSMNGKGPVYLLFSVNGSGHFCGVAEMKSAVDYNTCAGVWSQDKWKGRFDVRWIFVKDVPNSQLRHIRLENNENKPVTNSRDTQEVPLEKAKQVLKIIASYKHTTS

posex_set/posex_self_docking_set/7R5L_I4S/7R5L_I4S_protein.pdb

posex_set/posex_self_docking_set/7R5L_I4S/7R5L_I4S_ligand_start_conf.sdf

7VBU_6I4

Cc1ccc2c(n1)[nH]c1c(C3CC3)cccc12

GSAPKYIEHFSKFSPSPLSMKQFLDFGSSNACEKTSFTFLRQELPVRLANIMKEINLLPDRVLSTPSVQLVQSWYVQSLLDIMEFLDKDPEDHRTLSQFTDALVTIRNRHNDVVPTMAQGVLEYKDTYGDDPVSNQNIQYFLDRFYLSRISIRMLINQHTLIFDGSTNPAHPKHIGSIDPNCNVSEVVKDAYDMAKLLCDKYYMASPDLEIQEINAANSKQPIHMVYVPSHLYHMLFELFKNAMRATVESHESSLILPPIKVMVALGEEDLSIKMSDRGGGVPLRKIERLFSYMYSTAPTPQPGTGGTPLAGFGYGLPISRLYAKYFQGDLQLFSMEGFGTDAVIYLKALSTDSVERLPVYNKSAWRHYQTIQEAGDWCVPSTEPKNTSTYRVS

posex_set/posex_self_docking_set/7VBU_6I4/7VBU_6I4_protein.pdb

posex_set/posex_self_docking_set/7VBU_6I4/7VBU_6I4_ligand_start_conf.sdf

8A27_KY9

O=C(Nc1nccs1)[C@@H](c1ncn2c1CCC2)N1Cc2c(cc(C#Cc3ccc(CN4CCC(CO)CC4)cc3)cc2C(F)(F)F)C1=O

GSMNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG

posex_set/posex_self_docking_set/8A27_KY9/8A27_KY9_protein.pdb

posex_set/posex_self_docking_set/8A27_KY9/8A27_KY9_ligand_start_conf.sdf

7QZL_NAP

NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1

VPRGSSKRPIRIIQWGCGLMGQTLIRTLREKGAELVGAIDHNAARRDRDAGEVAGLGQSLGVRIHPPDQADAVFREARADVCILCTRSIMSELAGALRVAARHGVNAITIGEEAFYPWTTSQALTEELDQLARANDCTLTGSGFQDVFAGNLITVLAGATHRIDRIVGLTQYNADDYGSALAQKHGVGLDPETFAARIGASNSPSYVWNSNEWLCAQLGWRVRDIRQQLLPTTHTGTLRSASLGREVPAGHATGMKAVVVTETHEGPVIETHCVGKLYAPGEVDLNEWTLRGEPDTTVTIRQPATPALTCATVLNRLPQLLAAPPGFVTTDRFTPATYVSRLETEA

posex_set/posex_self_docking_set/7QZL_NAP/7QZL_NAP_protein.pdb

posex_set/posex_self_docking_set/7QZL_NAP/7QZL_NAP_ligand_start_conf.sdf

8P4H_UM6

O=c1nc(N2CC[C@@H](F)C2)c2ccc(Cl)cc2n1-c1ccccc1

MAHHHHHHSSGENLYFQGNGQLNGFHEAFIEEGTFLFTSESVGEGHPDKICDQISDAVLDAHLQQDPDAKVACETVAKTGMILLAGEITSRAAVDYQKVVREAVKHIGYDDSSKGFDYKTCNVLVALEQQSPDIAQGVHLDRNEEDIGAGDQGLMFGYATDETEECMPLTIVLAHKLNAKLAELRRNGTLPWLRPDSKTQVTVQYMQDRGAVLPIRVHTIVISVQHDEEVCLDEMRDALKEKVIKAVVPAKYLDEDTIYHLQPSGRFVIGGPQGDAGLTGRKIIVDTYGGWGAHGGGAFSGKDYTKVDRSAAYAARWVAKSLVKGGLCRRVLVQVSYAIGVSHPLSISIFHYGTSQKSERELLEIVKKNFDLRPGVIVRDLDLKKPIYQRTAAYGHFGRDSFPWEVPKKLKY

posex_set/posex_self_docking_set/8P4H_UM6/8P4H_UM6_protein.pdb

posex_set/posex_self_docking_set/8P4H_UM6/8P4H_UM6_ligand_start_conf.sdf

8JV3_BET

C[N+](C)(C)CC(=O)O

MGAVTVVSWGGAYTESQKLGYGDPTAAKLGIPVNWVDYTGGLSEIKAQKEAGAITWDIMDVYAKDTIIGCDEGIFHEFDFDKDFLPAPDGTPASQDFFTSMPSKCAVGNILYSWNFAYNDAKIGDKKPKSIKDFFNTKKFPGKRAIYKGAMSNLEIALVADGVKASGAQAGGDLLYRKMEGAGIDRALAKIKKLCTDPNGGCVFWNAGAQPPELLANGEVVMATGWNGRFFNAQMEGTPLVQVWDAQILDYEYFALVKDGPGYADGSAMKVLAEMTSTEGLAGSAKYIAYAPWRKSSIAIMEAGEPWFKDGKTNMVPHMPTAPSNLKSHILMNPDYWADNQDEINEKWEAMKAGLHHHHHH

posex_set/posex_self_docking_set/8JV3_BET/8JV3_BET_protein.pdb

posex_set/posex_self_docking_set/8JV3_BET/8JV3_BET_ligand_start_conf.sdf

7XQZ_FPF

CC(C)=CCC/C(C)=C/CC/C(C)=C(\F)CO[P@@](=O)(O)OP(=O)(O)O

HHHHHHATAVVRCRTRLARRVVAAVGPDGLLPAPCESRVLESALALALLTEERAEADATARLTAYLRTTLRTAPPDPFQCAVARAVLGGAGERGERVGDEGDMDAGTALDAGLDGFDHFTAGRKRLMFRTVLAALGATGFPAVPWEAYDTRPQQSWLHMEMKALKVLAAHGTGHPDVVRDEDWRALLPALEPGPAWECNNLAQLLALLALRHSPRHRPALGDVLKHVAGRLRPDGGMPFIDGMTVFTTAAAGLALSLLPAPPACVTPMADALALRRNPDGGYGFHSGVAQSDVADTCYVLEFLRRAAPDRHRTAVAEAEGYLLALRNPDGGFPTFARGTSSEIAMTAAAASALAHDPDRREEVDEAVRYVVRHQRPDGTFERSWSRNATNAVFRAVLALTGVAAHGEERRSRARAAERALAHLAATQNGDGGWGHAEAEPSDPISTAYAVIALARGPRARPGGPLDRALAYLVERQHPDGGYRSRPDQAGPRPLLYDVPALADVFVLLALAHAT

posex_set/posex_self_docking_set/7XQZ_FPF/7XQZ_FPF_protein.pdb

posex_set/posex_self_docking_set/7XQZ_FPF/7XQZ_FPF_ligand_start_conf.sdf

8ASZ_AG2

N=C(N)NCCCCN

AEQKTLHIYNWSDYIAPDTVANFEKETGIKVVYDVFDSNEVLEGKLMAGSTGFDLVVPSAYFLERQLTAGVFQPLDKSKLPEWKNLDPELLKLVAKHDPDNKFAMPYMWATTGIGYNVDKVKAVLGENAPVDSWDLILKPENLEKLKSCGVSFLDDPEEVFATVLNYLGKDPNSTKADDYTGPATDLLLKLRPNIRYFHSSQYINDLANGDICVAIGWAGDVWQASNRAKEAKNGVNVSFSIPKEGAMAFFDVFAMPADAKNKDEAYQFLNYLLRPDVVAHISDHVFYANANKAATPLVSAEVRENPGIYPPADVRAKLFTLKVQDPKIDRVRTRAWTKVKSGKLEHHHHHH

posex_set/posex_self_docking_set/8ASZ_AG2/8ASZ_AG2_protein.pdb

posex_set/posex_self_docking_set/8ASZ_AG2/8ASZ_AG2_ligand_start_conf.sdf

8I63_BR8

O=C1CC(=O)NC(=O)N1

MHHHHHHGMASMTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP

posex_set/posex_self_docking_set/8I63_BR8/8I63_BR8_protein.pdb

posex_set/posex_self_docking_set/8I63_BR8/8I63_BR8_ligand_start_conf.sdf

8CNH_V6U

COC(=O)c1ccccc1Cc1cn(C)nc1-c1cc(Cl)nc(N)n1

MNTPKEEFQDWPIVRIAAHLPDLIVYGHFSPERPFMDYFDGVLMFVDISGFTAMTEKFSSAMYMDRGAEQLVEILNYHISAIVEKVLIFGGDILKFAGDALLALWRVERKQLKNIITVVIKCSLEIHGLFETQEWEEGLDIRVKIGLAAGHISMLVFGDETHSHFLVIGQAVDDVRLAQNMAQMNDVILSPNCWQLCDRSMIEIESVPDQRAVKVNFLKPPPNFNFDEFFTKCTTFMHYYPSGEHKNLLRLACTLKPDPELEMSLQKYVMESILKQIDNKQLQGYLSELRPVTIVFVNLMFEDQDKAEEIGPAIQDAYMHITSVLKIFQGQINKVFMFDKGCSFLCVFGFPGEKVPDELTHALECAMDIFDFCSQVHKIQTVSIGVASGIVFCGIVGHTVRHEYTVIGQKVNLAARMMMYYPGIVTCDSVTYNGSNLPAYFFKELPKKVMKGVADSGPLYQYWGRTEKVHHHHHH

posex_set/posex_self_docking_set/8CNH_V6U/8CNH_V6U_protein.pdb

posex_set/posex_self_docking_set/8CNH_V6U/8CNH_V6U_ligand_start_conf.sdf

7ZOG_JE5

N=[N+]=NCCOCCOCCOCCNC(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc3c(=O)cc(C(=O)NCC4CCCCC4)oc23)cc1

MAHHHHHHMGTLEAQTQGPGSHYTDNRYKMMECIKDAGRPFYPHKFKISMSLPAYALKYGNVENGYIDKDTTLSLSGRVTSIRSSSSKLIFYDIFCEEQKVQIIANIMEHDISTGEFSVSHSEIRRGDVVGFTGFPGKSKRGELSLFSKSVVLLSPCYHMLPTAISGLKDQEVRYRQRYLDLMLNEESRKVFKLRSRAIKYIRNYFDRLGFLEVETPMLNMIYGGAAARPFITYHNELETQLYMRIATELYLKQLIVGGLDKVYEIGKVFRNEGIDLTHNPEFTSMEFYMAYADYYDLMDLTEELISGLVLEIHGSLKIPYHPDGPEGKCIEIDFTTPWKRFSFVEEIESGLGEKLKRPLDSQENIDFMVEMCEKHEIELPHPRTAAKLLDKLAGHFVETKCTNPSFIIDHPQTMSPLAKWHREKPEMTERFELFVLGKELCNAYTELNEPLQQRKFFEQQADAKASGDVEACPIDETFCLALEHGLPPTGGWGLGIDRLIMFLADKNNIKEVILFPAMRNVKQNAQHSNQHSGN

posex_set/posex_self_docking_set/7ZOG_JE5/7ZOG_JE5_protein.pdb

posex_set/posex_self_docking_set/7ZOG_JE5/7ZOG_JE5_ligand_start_conf.sdf

7NGG_U9W

CC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1

MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR

posex_set/posex_self_docking_set/7NGG_U9W/7NGG_U9W_protein.pdb

posex_set/posex_self_docking_set/7NGG_U9W/7NGG_U9W_ligand_start_conf.sdf

7EUZ_JD3

C[C@H](c1c[nH]c2ccccc12)[C@H](N)C(=O)O

MTVQDKAAGSDAEIVTALPVPLAVAGHHQPAPFYLTADMFGGLPVQLAGGELSKLVGKPVAAPHVHEVDELYFLVSPEPGQARIEVHLDGVRHELVSPAVMRIPAGSEHCFLTLEATVGSYCFGILVGDRL

posex_set/posex_self_docking_set/7EUZ_JD3/7EUZ_JD3_protein.pdb

posex_set/posex_self_docking_set/7EUZ_JD3/7EUZ_JD3_ligand_start_conf.sdf

8CFE_T9G

CC[C@@H](N)c1ccccc1O

SNAMSAVMTPAGFTDYKVADITLAAWGRRELIIAESEMPALMGLRRKYAGQQPLKGAKILGCIHMTIQTGVLIETLVALGAEVRWSSCNIFSTQDQAAAAIAAAGIPVFAWKGETEEEYEWCIEQTILKDGQPWDANMVLDDGGDLTEILHKKYPQMLERIHGITEETTTGVHRLLDMLKNGTLKVPAINVNDSVTKSKNDNKYGCRHSLNDAIKRGTDHLLSGKQALVIGYGDVGKGSSQSLRQEGMIVKVAEVDPICAMQACMDGFEVVSPYKNGINDGTEASIDAALLGKIDLIVTTTGNVNVCDANMLKALKKRAVVCNIGHFDNEIDTAFMRKNWAWEEVKPQVHKIHRTGKDGFDAHNDDYLILLAEGRLVNLGNATGHPSRIMDGSFANQVLAQIHLFEQKYADLPAAEKAKRLSVEVLPKKLDEEVALEMVKGFGGVVTQLTPKQAEYIGVSVEGPFKPDTYRY

posex_set/posex_self_docking_set/8CFE_T9G/8CFE_T9G_protein.pdb

posex_set/posex_self_docking_set/8CFE_T9G/8CFE_T9G_ligand_start_conf.sdf

7GBY_L5I

Cc1ccncc1NC(=O)[C@H](C)CC1CC1

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_self_docking_set/7GBY_L5I/7GBY_L5I_protein.pdb

posex_set/posex_self_docking_set/7GBY_L5I/7GBY_L5I_ligand_start_conf.sdf

8PTS_EIF

C[C@@]1(F)[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

MSGPRPVVLSGPSGAGKSTLLKRLLQEHSGIFGFSVSHTTRNPRPGEENGKDYYFVTREVMQRDIAAGDFIEHAEFSGNLYGTSKVAVQAVQAMNRICVLDVDLQGVRNIKATDLRPIYISVQPPSLHVLEQRLRQRNTETEESLVKRLAAAQADMESSKEPGLFDVVIINDSLDQAYAELKEALSEEIKKAQRTGA

posex_set/posex_self_docking_set/8PTS_EIF/8PTS_EIF_protein.pdb

posex_set/posex_self_docking_set/8PTS_EIF/8PTS_EIF_ligand_start_conf.sdf

7E08_HYP

O=C(O)[C@@H]1C[C@@H](O)CN1

MEPHDTLSPAQVDEYRKNGFLVQEHVFDEEEIELLRAEAAQEFASGGERVTVEQNTGIVRGVHGCHLYSEVFGRLVRSPRLLPIARQLLRDDVYVHQFKINAKRAFKGEVWEWHQDYTFWHHEDGMPAPRALSAAIFLDEVTEFNGPLTFVPGGHGSGMIDADVKGEGWANTLTASLKYSLDVETMRGLIERNGMVAPKGPRGSVLWFDANIPHSSVPNISPFDRGLVLITYNSVENKTDVTRGTRPEWLAARDFTPLTALQATSF

posex_set/posex_self_docking_set/7E08_HYP/7E08_HYP_protein.pdb

posex_set/posex_self_docking_set/7E08_HYP/7E08_HYP_ligand_start_conf.sdf

8DKY_U90

CO[C@@H]1[C@H](O)[C@@H](O)O[C@H](CO)[C@H]1O

GSNFKAVIKEVRLKSEHGYTNNFPSGDTLFIELDVEAKEDLQDVVAGILIRDRFGQDIFGINTYLMEKKVELKKGKYLFTFKMPLNLAPGKYTLTVALHKGMDHAQECYHWIDNVCNFEVNGFKKEQFVGVCYLPTEFNYRKIP

posex_set/posex_self_docking_set/8DKY_U90/8DKY_U90_protein.pdb

posex_set/posex_self_docking_set/8DKY_U90/8DKY_U90_ligand_start_conf.sdf

7EHR_1PE

OCCOCCOCCOCCOCCO

MSELYQAKSETRSTITSSLKGIQPYKPTKATIWSRADALKVNEYDPTTTQPLVSGDFPVMSDEVFIWDTMPLRDIDGNIASVNGWSVIFTLTADRNPTAPEYQDEQGNYDITLDWNDRHGRAKMYFWYSRTGKDWIIGGRVMAEGVSPTAREWAGTPVLLNERGEIDLYYTAVTPGATVVKVRGRVVTTENGVEMVGFKKVKSLFEADGKMYQTESQNPYWAFRDPCPFRDPKSGKLYMLFEGNVAGERGSHVVGPDELGDVPPGYEDAGNSHFQTGCIGIAVCRDEDGDDWELLPPLITAVGVNDQTERPHFVFQDGKYYLFTISHKFTYGDGLTGPDGVYGFVSENLFGPYVPLNGSGLVLGNPPSQPYQTYSHYVMPNGLVTSFIDSVPTGEDSYRIGGTEAPTVLIKLKGAQTFVLEEFDYGYIPPMIDVKVEHHHHHH

posex_set/posex_self_docking_set/7EHR_1PE/7EHR_1PE_protein.pdb

posex_set/posex_self_docking_set/7EHR_1PE/7EHR_1PE_ligand_start_conf.sdf

7SZA_DUI

Nc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O

GPMAAARATTPADGEEPAPEAEALAAARERSSRFLSGLELVKQGAEARVFRGRFQGRAAVIKHRFPKGYRHPALEARLGRRRTVQEARALLRCRRAGISAPVVFFVDYASNCLYMEEIEGSVTVRDYIQSTMETEKTPQGLSNLAKTIGQVLARMHDEDLIHGDLTTSNMLLKPPLEQLNIVLIDFGLSFISALPEDKGVDLYVLEKAFLSTHPNTETVFEAFLKSYSTSSKKARPVLKKLDEVRLRGRKRSMVG|GPHMQLTHQLDLFPECRVTLLLFKDVKNAGDLRRKAMEGTIDGSLINPTVIVDPFQILVAANKAVHLYKLGKMKTRTLSTEIIFNLSPNNNISEALKKFGISANDTSILIVYIEEGEKQINQEYLISQVEGHQVSLKNLPEIMNITEVKKIYKLSSQEESIGTLLDAIICRMSTKDVL

posex_set/posex_self_docking_set/7SZA_DUI/7SZA_DUI_protein.pdb

posex_set/posex_self_docking_set/7SZA_DUI/7SZA_DUI_ligand_start_conf.sdf

8XAM_XRH

CN(C)c1nc(=O)n(-c2cccc(NC(=O)COc3cccc(-n4c(=O)nc(N(C)C)c5ccc(Cl)cc54)c3)c2)c2cc(Cl)ccc12

GTFLFTSESVGEGHPDKICDQISDAVLDAHLQQDPDAKVACETVAKTGMILLAGEITSRAAVDYQKVVREAVKHIGYDDSSKGFDYKTCNVLVALEQQSPDIAQGVHLDRNEEDIGAGDQGLMFGYATDETEECMPLTIVLAHKLNAKLAELRRNGTLPWLRPDSKTQVTVQYMQDRGAVLPIRVHTIVISVQHDEEVCLDEMRDALKEKVIKAVVPAKYLDEDTIYHLQPSGRFVIGGPQGDAGLTGRKIIVDTYGGWGAHGGGAFSGKDYTKVDRSAAYAARWVAKSLVKGGLCRRVLVQVSYAIGVSHPLSISIFHYGTSQKSERELLEIVKKNFDLRPGVIVRDLDLKKPIYQRTAAYGHFGRDSFPWEVPKKLKY

posex_set/posex_self_docking_set/8XAM_XRH/8XAM_XRH_protein.pdb

posex_set/posex_self_docking_set/8XAM_XRH/8XAM_XRH_ligand_start_conf.sdf

7EER_ZCW

OCCc1c[nH]c2ccccc12

MKTIFSGIQPSGVITIGNYIGALRQFVELQHEYNCYFCIVDQHAITVWQDPHELRQNIRRLAALYLAVGIDPTQATLFIQSEVPAHAQAAWMLQCIVYIGELERMTQFKEKSAGKEAVSAGLLTYPPLMAADILLYNTDIVPVGEDQKQHIELTRDLAERFNKRYGELFTIPEARIPKVGARIMSLVDPTKKMSKSDPNPKAYITLLDDAKTIEKKIKSAVTDSEGTIRYDKEAKPGISNLLNIYSTLSGQSIEELERQYEGKGYGVFKADLAQVVIETLRPIQERYHHWMESEELDRVLDEGAEKANRVASEMVRKMEQAMGLGRRRLE

posex_set/posex_self_docking_set/7EER_ZCW/7EER_ZCW_protein.pdb

posex_set/posex_self_docking_set/7EER_ZCW/7EER_ZCW_ligand_start_conf.sdf

7B2U_SQ5

O=C1N[C@@H](CC2CCCCC2)C(=O)N1c1cncc(F)c1

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_self_docking_set/7B2U_SQ5/7B2U_SQ5_protein.pdb

posex_set/posex_self_docking_set/7B2U_SQ5/7B2U_SQ5_ligand_start_conf.sdf

8ORO_VFH

Cc1cc(=O)c2ccccc2[nH]1

MRGSHHHHHHGSMTDTYLHETLVFDNKLSYIDNQRDTDGPAILLLPGWCHDHRVYKYLIQELDADFRVIVPNWRGHGLSPSEVPDFGYQEQVKDALEILDQLGVETFLPVSHAHGGWVLVELLEQAGPERAPRGIIMDWLMWAPKPDFAKSLTLLKDPERWREGTHGLFDVWLDGHDEKRVRHHLLEEMADYGYDCWGRSGRVIEDAYGRNGSPMQMMANLTKTRPIRHIFSQPTEPEYEKINSDFAEQHPWFSYAKLGGPTHFPAIDVPDRAAVHIREFATAIRQGQ

posex_set/posex_self_docking_set/8ORO_VFH/8ORO_VFH_protein.pdb

posex_set/posex_self_docking_set/8ORO_VFH/8ORO_VFH_ligand_start_conf.sdf

8E0T_52L

O=C(O)/C(C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)=N/O

GMNYQNDDLRIKEIKELLPPVALLEKFPATENAANTVAHARKAIHKILKGNDDRLLVVIGPCSIHDPVAAKEYATRLLALREELKDELEIVMRVYFEKPRTTVGWKGLINDPHMDNSFQINDGLRIARKLLLDINDSGLPAAGEFLDMITPQYLADLMSWGAIGARTTESQVHRELASGLSCPVGFKNGTDGTIKVAIDAINAAGAPHCFLSVTKWGHSAIVNTSGNGDCHIILRGGKEPNYSAKHVAEVKEGLNKAGLPAQVMIDFSHANSSKQFKKQMDVCADVCQQIAGGEKAIIGVMVESHLVEGNQSLESGEPLAYGKSITDACIGWEDTDALLRQLANAVKARRG

posex_set/posex_self_docking_set/8E0T_52L/8E0T_52L_protein.pdb

posex_set/posex_self_docking_set/8E0T_52L/8E0T_52L_ligand_start_conf.sdf

7N8E_0UD

CCNC(=N)NC(=O)Nc1c(C(C)C)cccc1C(C)C

MTVGTLVASVLPATVFEDLAYAELYSDPPGLTPLPEEAPLIARSVAKRRNEFITVRHCARIALDQLGVPPAPILKGDKGEPCWPDGMVGSLTHCAGYRGAVVGRRDAVRSVGIDAEPHDVLPNGVLDAISLPAERADMPRTMPAALHWDRILFCAKEATYKAWFPLTKRWLGFEDAHITFETDSTGWTGRFVSRILIDGSTLSGPPLTTLRGRWSVERGLVLTAIVLAGENLYFQSAGHHHHHH

posex_set/posex_self_docking_set/7N8E_0UD/7N8E_0UD_protein.pdb

posex_set/posex_self_docking_set/7N8E_0UD/7N8E_0UD_ligand_start_conf.sdf

7DYQ_HR0

Cc1nn2c(nc(O)c3cccnc32)c1C#N

AQNPNCNIMIFHPTKEEFNDFDKYIAYMESQGAHRAGLAKIIPPKEWKARETYDNISEILIATPLQQVASGRAGVFTQYHKKKKAMTVGEYRHLANSKKYQTPPHQNFEDLERKYWKNRIYNSPIYGADISGSLFDENTKQWNLGHLGTIQDLLEKECGVVIEGVNTPYLYFGMWKTTFAWHTEDMDLYSINYLHLGEPKTWYVVPPEHGQRLERLARELFPGSSRGCGAFLRHKVALISPTVLKENGIPFNRITQEAGEFMVTFPYGYHAGFNHGFNCAEAINFATPRWIDYGKMASQCSCGEARVTFSMDAFVRILQPERYDLWKRGQ

posex_set/posex_self_docking_set/7DYQ_HR0/7DYQ_HR0_protein.pdb

posex_set/posex_self_docking_set/7DYQ_HR0/7DYQ_HR0_ligand_start_conf.sdf

5SM7_LPU

CS(=O)(=O)N1CCC(O)CC1

SMLFKDCSKVITGLHPTQAPTHLSVDTKFKTEGLCVDIPGIPKDMTYRRLISMMGFKMNYQVNGYPNMFITREEAIRHVRAWIGFDVEGCHATREAVGTNLPLQLGFSTGVNLVAVPTGYVDTPNNTDFSRVSAKPPPGDQFKHLIPLMYKGLPWNVVRIKIVQMLSDTLKNLSDRVVFVLWAHGFELTSMKYFVKIGPERTCCLCDRRATCFSTASDTYACWHHSIGFDYVYNPFMIDVQQWGFTGNLQSNHDLYCQVHGNAHVASCDAIMTRCLAVHECFVKRVDWTIEYPIIGDELKINAACRKVQHMVVKAALLADKFPVLHDIGNPKAIKCVPQADVEWKFYDAQPCSDKAYKIEELFYSYATHSDKFTDGVCLFWNCNVDRYPANSIVCRFDTRVLSNLNLPGCDGGSLYVNKHAFHTPAFDKSAFVNLKQLPFFYYSDSPCESHGKQVVSDIDYVPLKSATCITRCNLGGAVCRHHANEYRLYLDAYNMMISAGFSLWVYKQFDTYNLWNTFTRLQ

posex_set/posex_self_docking_set/5SM7_LPU/5SM7_LPU_protein.pdb

posex_set/posex_self_docking_set/5SM7_LPU/5SM7_LPU_ligand_start_conf.sdf

8U5O_NGC

O=C(CO)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@@H]1O

MVEGAVKTEPVDLFHPGFLNSSNYRIPALFKTKEGTLIASIDARRHGGADAPNNDIDTAVRRSEDGGKTWDEGQIIMDYPDKSSVIDTTLIEDDETGRIFLLVTHFPSKYGFWNAGLGSGFKNIDGKEYLCLYDSSGKEFTVRENVVYDKDSNKTEYTTNALGDLFRNGTKIDNINSSTAPLKAKGTSYINLVYSDDDGKTWSEPQNINFQVKKDWMKFLGIAPGRGIQIKNGEHKGRIVVPVYYTNEKGKQSSAVIYSDDSGKNWTIGESPNDNRKLENGKIINSKTLSDDAPQLTECQVVEMPNGQLKLFMRNLSGYLNIATSFDGGATWDETVEKDTNVLEPYCQLSVINYSQKVDGKDAVIFSNPNARSRSNGTVRIGLINQVGTYENGEPKYEFDWKYNKLVKPGYYAYSCLTELSNGNIGLLYEGTPSEEMSYIEMNLKYLES

posex_set/posex_self_docking_set/8U5O_NGC/8U5O_NGC_protein.pdb

posex_set/posex_self_docking_set/8U5O_NGC/8U5O_NGC_ligand_start_conf.sdf

7Z62_IEC

C=C(c1ccc(OC)cc1)c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1

AWKGEVLANNEAGQVTSIIYNPGDVITIVAAGWASYGPTQKWGPQGDREHPDQGLICHDAFCGALVMKIGNSGTIPVNTGLFRWVAPNNVQGAITLIYNDVPGTYGNNSGSFSVNIGKDQS

posex_set/posex_self_docking_set/7Z62_IEC/7Z62_IEC_protein.pdb

posex_set/posex_self_docking_set/7Z62_IEC/7Z62_IEC_ligand_start_conf.sdf

8A0T_KLO

Oc1ncc(Cc2ccccc2)c(O)n1

GSHMGASRLYTLVLVLQPQRVLLGMKKRGFGAGRWNGFGGKVQEGETIEDGARRELQEESGLTVDALHKVGQIVFEFVGEPELMDVHVFCTDSIQGTPVESDEMRPCWFQLDQIPFKDMWPDDSYWFPLLLQKKKFHGYFKFQGQDTILDYTLREVDTV

posex_set/posex_self_docking_set/8A0T_KLO/8A0T_KLO_protein.pdb

posex_set/posex_self_docking_set/8A0T_KLO/8A0T_KLO_ligand_start_conf.sdf

7EJI_PEG

OCCOCCO

GMTDRLKGKVAIVTGGTLGIGLAIADKFVEEGAKVVITGRHADVGEKAAKSIGGTDVIRFVQHDASDEAGWTKLFDTTEEAFGPVTTVVNNAGIAVSKSVEDTTTEEWRKLLSVNLDGVFFGTRLGIQRMKNKGLGASIINMSSIEGLVGDPTQGAYNASKGAVRIMSKSAALDCALKDYDVRVNTVHPGPIKTPLVDDAEGAEEFFSQRTKTPMGHIGEPNDIAWICVYLASDESKFATGAEFVVDGGYTAQ

posex_set/posex_self_docking_set/7EJI_PEG/7EJI_PEG_protein.pdb

posex_set/posex_self_docking_set/7EJI_PEG/7EJI_PEG_ligand_start_conf.sdf

8FBQ_XOQ

Cc1nn(C)c(C)c1CCOc1cccnc1-c1cccc(N2CCNCC2)c1

GPDYKFWYTQPVPKINDEFNESVNEPFISDNKVEDVRKDEYKLPPGYSWYVCDVKDEKDRSEIYTLLTDNYVEDDDNIFRFNYSAEFLLWALTSPNYLKTWHIGVKYDASNKLIGFISAIPTDICIHKRTIKMAEVNFLCVHKTLRSKRLAPVLIKEITRRINLENIWQAIYTAGVYLPKPVSDARYYHRSINVKKLIEIGFSSLNSRLTMSRAIKLYRVEDTLNIKNMRLMKKKDVEGVHKLLGSYLEQFNLYAVFTKEEIAHWFLPIENVIYTYVNEENGKIKDMISFYSLPSQILGNDKYSTLNAAYSFYNVTTTATFKQLMQDAILLAKRNNFDVFNALEVMQNKSVFEDLKFGEGDGSLKYYLYNWKCASFAPAHVGIVLL

posex_set/posex_self_docking_set/8FBQ_XOQ/8FBQ_XOQ_protein.pdb

posex_set/posex_self_docking_set/8FBQ_XOQ/8FBQ_XOQ_ligand_start_conf.sdf

7F99_1UI

COc1cncc(-c2cc(F)cc(CNC(=O)c3cc(N4CC[C@@](C#N)(C5CC5)C4=O)cc(C)n3)c2)c1

PKKQTRLGLEAKKEENLADWYSQVITKSEMIEYHDISGCYILRPWAYAIWEAIKDFFDAEIKKLGVENCYFPMFVSQSALEKEKTHVADFAPEVAWVTRSGKTELAEPIAIRPTSETVMYPAYAKWVQSHRDLPIKLNQWCNVVRWEFKHPQPFLRTREFLWQEGHSAFATMEEAAEEVLQILDLYAQVYEELLAIPVVKGRKTEKEKFAGGDYTTTIEAFISASGRAIQGGTSHHLGQNFSKMFEIVFEDPKIPGEKQFAYQNSWGLTTRTIGVMTMVHGDNMGLVLPPRVACVQVVIIPCGITNALSEEDKEALIAKCNDYRRRLLSVNIRVRADLRDNYSPGWKFNHWELKGVPIRLEVGPRDMKSCQFVAVRRDTGEKLTVAENEAETKLQAILEDIQVTLFTRASEDLKTHMVVANTMEDFQKILDSGKIVQIPFCGEIDCEDWIKKTTARDQDLEPGAPSMGAKSLCIPFKPLCELQPGAKCVCGKNPAKYYTLFGRSY

posex_set/posex_self_docking_set/7F99_1UI/7F99_1UI_protein.pdb

posex_set/posex_self_docking_set/7F99_1UI/7F99_1UI_ligand_start_conf.sdf

9MIU_A1BLJ

CN(C)c1cc(-c2ccncc2)c(Cl)nn1

TVFRQENVDDYYDTGEELGSGQFAVVKKCREKSTGLQYAAKFIKKRRTKSSRRGVSREDIEREVSILKEIQHPNVITLHEVYENKTDVILILELVAGGELFDFLAEKESLTEEEATEFLKQILNGVYYLHSLQIAHFDLKPENIMLLDRNVPKPRIKIIDFGLAHKIDFGNEFKNIFGTPEFVAPEIVNYEPLGLEADMWSIGVITYILLSGASPFLGDTKQETLANVSAVNYEFEDEYFSNTSALAKDFIRRLLVKDPKKRMTIQDSLQHPWIKPKDTQQALSSAWSHPQFEKSAWSHPQFEK

posex_set/posex_self_docking_set/9MIU_A1BLJ/9MIU_A1BLJ_protein.pdb

posex_set/posex_self_docking_set/9MIU_A1BLJ/9MIU_A1BLJ_ligand_start_conf.sdf

8AVQ_UDX

O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)O[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1

LGSMKLAELTLESDDFITSDKLFNFCKSTIFGAKYVKTDFIKFRQYQYIVSNCGWRDDTDVVFLENTPVLVTGHSDYDISEREIDIIRLPNIRAWFCQNRNIPHPKVISFPLGITNKDEPNSEIHRIIGNTDRILEVSKTPKEIKNLVYMNITVKNFPEERQRIVDLYSDKSWVTIGKGEVSEEGHRKFLEDMYAHKFCFAPRGNGIDTHRLWESLYLRTIPIVKKHIAMEQFTDLPILFVNDWENITEEYLNEQYDIIMAKDWNLDKLKIDYWYQKILEYSQ

posex_set/posex_self_docking_set/8AVQ_UDX/8AVQ_UDX_protein.pdb

posex_set/posex_self_docking_set/8AVQ_UDX/8AVQ_UDX_ligand_start_conf.sdf

9CLL_A1AZG

CC(C)c1nn([C@@H]2O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)Cc3ccc(O)cc3)[C@@H](O)[C@H]2O)c2ncnc(N)c12

METTDTKREEQEIEEKKAQEESKIEDVDKILNDILSISSECIQPDELRVKLLLKRKLICYDGFEPSGRMHIAQGLLKSIIVNKLTSNGCTFIFWIADWFAHLNNKMSGDLKKIKKVGSYFIEVWKSCGMNMENVQFLWASEEINKKPNEYWSLVLDISRSFNINRMKRCLKIMGRSEGEENYCSQILYPCMQCADIFFLNVDICQLGIDQRKVNMLAREYCDIKKIKKKPVILSHGMLPGLLEGQEKMSKSDENSAIFMDDSESDVNRKIKKAYCPPNVIENNPIYAYAKSIIFPSYNEFNLVRKEKNGGDKTYYTLQELEHDYVNGFIHPLDLKDNVAMYINKLLQPVRDHFQNNIEAKNLLNEIKKYKVTK

posex_set/posex_self_docking_set/9CLL_A1AZG/9CLL_A1AZG_protein.pdb

posex_set/posex_self_docking_set/9CLL_A1AZG/9CLL_A1AZG_ligand_start_conf.sdf

7SIU_9ID

Cn1cc(Nc2ncc(C3=CCC[C@@H](NC(=O)c4ccccc4)C3)nc2C(N)=O)cn1

MDYKDDDDKENLYFQGDVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGATLARRLSFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTASPAARPSATKMLSHQLVSQPGLNRGLILDLLDKLKNPG

posex_set/posex_self_docking_set/7SIU_9ID/7SIU_9ID_protein.pdb

posex_set/posex_self_docking_set/7SIU_9ID/7SIU_9ID_ligand_start_conf.sdf

7JXB_VLG

COc1cccc(-c2ccc(C(=O)O)cc2)c1

MISNSSAESISAPPNDSTIPHLAIDPFSLDFFDDPYPDQQTLRDAGPVVYLDKWNVYGVARYAEVHAVLNDPTTFCSSRGVGLSDFKKEKPWRPPSLILEADPPAHTRPRAVLSKVLSPATMKTIRDGFAAAADAKVDELLQRGCIDAIADLAEAYPLSVFPDAMGLKQEGREHLLPYAGLVFNAFGPPNELRQTAIERSAPHQAYVNEQCQRPNLAPGGFGACIHAFTDTGEITPDEAPLLVRSLLSAGLDTTVNGIGAAVYCLARFPGELQRLRSDPTLARNAFEEAVRFESPVQTFFRTTTREVELGGAVIGEGEKVLMFLGSANRDPRRWSDPDLYDITRKTSGHVGFGSGVHMCVGQLVARLEGEVMLSALARKVAAIDIDGPVKRRFNNTLRGLESLPVKLTPA

posex_set/posex_self_docking_set/7JXB_VLG/7JXB_VLG_protein.pdb

posex_set/posex_self_docking_set/7JXB_VLG/7JXB_VLG_ligand_start_conf.sdf

7OFY_VCW

O=S(=O)(O)C[C@H]1O[C@H](OC[C@H](O)CO)[C@H](O)[C@@H](O)[C@@H]1O

MDAELKIFVSSQHQPDIWRKALDQYEAKTPGVKVVIETGGNTSEMQAQYLNTVMSAKDSSLDVLMLDVIRPAQFATAGWTSDFSGKDLSAYLPTYAEANTVNGKIVALPAFADSMFLYYRKDLLDKYGIKPPTTWDELKEASKKVMEGEKNPELQGLSFQGKAIEGAVCTFLLPYWSEGKSLVENGKLNFDNKAAVDSLKLWKSFVDDGISKKNISEVATDDTRKEFQAGKVLFAVNWSYAWTHFQGKESQVNDKVGVARLPAVKGGEQTTCLGGWEFGVSAYSKQQDEAKKLVEYLSSQDVSKFMAINAALLPTYAALYKDADVTKTIPWFADALPVVETAKARPVTPRYNEVSETIRTTVNGVLAGVMTPEDGAKQMESRLRRVLRLEHHHHHH

posex_set/posex_self_docking_set/7OFY_VCW/7OFY_VCW_protein.pdb

posex_set/posex_self_docking_set/7OFY_VCW/7OFY_VCW_ligand_start_conf.sdf

8QQ4_WEE

N[C@@H](CO)Cn1nnc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1

GPGPEIVDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNLRSLVLDTKDLTIEKVVINGQEVKYALGERQSYKGSPMEISLPIALSKNQEIVIEISFETSPKSSALQWLTPEQTSGKEHPYLFSQCQAIHCRAILPCQDTPSVKLTYTAEVSVPKELVALMSAIRDGETPDPEDPSRKIYKFIQKVPIPCYLIALVVGALESRQIGPRTLVWSEKEQVEKSAYEFSETESMLKIAEDLGGPYVWGQYDLLVLPPSFPYGGMENPCLTFVTPTLLAGDKSLSNVIAHEISHSWTGNLVTNKTWDHFWLNEGHTVYLERHICGRLFGEKFRHFNALGGWGELQNSVKTFGETHPFTKLVVDLTDIDPDVAYSSVPYEKGFALLFYLEQLLGGPEIFLGFLKAYVEKFSYKSITTDDWKDFLYSYFKDKVDVLNQVDWNAWLYSPGLPPIKPNYDMTLTNACIALSQRWITAKEDDLNSFNATDLKDLSSHQLNEFLAQTLQRAPLPLGHIKRMQEVYNFNAINNSEIRFRWLRLCIQSKWEDAIPLALKMATEQGRMKFTRPLFKDLAAFDKSHDQAVRTYQEHKASMHPVTAMLVGKDLKVD

posex_set/posex_self_docking_set/8QQ4_WEE/8QQ4_WEE_protein.pdb

posex_set/posex_self_docking_set/8QQ4_WEE/8QQ4_WEE_ligand_start_conf.sdf

8UOK_X5N

O=C1COc2ccc(-c3cnc4ccccn34)nc2N1C1CCNCC1

GAMGSDEQPHIGNYRLLKTLGKGNFAKVKRARHILTGREVAIKIIDKTQLNPTSLQKLFREVRIMKILNHPNIIKLFEVIETEKTLYLIMEYASKGEVYDYLVEHGRMKEKEARSKFRQIVSAVQYCHQKRIVHRDLKAENLLLDADMNIKIADFGFSNEFTKGGKLDTFCGSPPYAAPELFQGKKYDGPEVDVWSLGVILYTLVSGSLPFDGQNLKELRERVLRGKYRIPFYMSTDCENLLKRFLVLNPIKRGTLEQIMKDRWINAGHEEDELKPFVEPELDISDQKRIDIMVGMGYSQEEIQESLSKMKYDEITATYLLLGRKSSE

posex_set/posex_self_docking_set/8UOK_X5N/8UOK_X5N_protein.pdb

posex_set/posex_self_docking_set/8UOK_X5N/8UOK_X5N_ligand_start_conf.sdf

8E5M_UKR

O=C(O)C1(CN2C[C@H](CN3CCC(CCS(=O)(=O)c4ccc(F)cc4)CC3)[C@@H](c3cccc(F)c3)C2)CCCC1

MSAKSRTIGIIGAPFSKGQPRGGVEEGPTVLRKAGLLEKLKEQECDVKDYGDLPFADIPNDSPFQIVKNPRSVGKASEQLAGKVAEVKKNGRISLVLGGDHSLAIGSISGHARVHPDLGVIWVDAHTDINTPLTTTSGNLHGQPVSFLLKELKGKIPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYILKTLGIKYFSMTEVDRLGIGKVMEETLSYLLGRKKRPIHLSFDVDGLDPSFTPATGTPVVGGLTYREGLYITEEIYKTGLLSGLDIMEVNPSLGKTPEEVTRTVNTAVAITLACFGLAREGNHKPIDYLNPPK

posex_set/posex_self_docking_set/8E5M_UKR/8E5M_UKR_protein.pdb

posex_set/posex_self_docking_set/8E5M_UKR/8E5M_UKR_ligand_start_conf.sdf

7S3T_QRP

O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@@H]12

VTTTATLTYPFHDWSQELSPRYAQLRASDAPVCPVVSEGTGDPLWLVTRYATAVKLLEDSRFSSEAAIASGAPRQEPVELRAPGTRADGVAMLREAGLRSVLADGLGPRAVRRHQGWINDLAETLMSELASREGTFDLAADFVEPLSSALVSRTLLGELSADERDLLAHCADTGLRFCGVTHEEQVHAFTQMHEFFLEHARRLAGTPGEHLLKLIAEAPVDQGPLSDEALAEAGSLLVVAGFPTSSGFLCGALLTLLRHPDAVQELHAHPERVPSAVEELLRYTPLSTGSVKRMATEDLEIDGVRIKAGEVVMVSLEAVNHDPDAFEDPDVFRPGREGPMHFGFGRGRHFCPGNRLARCVIEATVRAVARRPGLRLAVAPEEISWHEGLFFRRPRAIPATW

posex_set/posex_self_docking_set/7S3T_QRP/7S3T_QRP_protein.pdb

posex_set/posex_self_docking_set/7S3T_QRP/7S3T_QRP_ligand_start_conf.sdf

7UAS_MBU

CCn1cc(-c2cc(Cn3ccnc3C)cc3c2CCN([C@H](c2cc(C)ccn2)C2CC2)C3=O)c(C(F)(F)F)n1

SATQSKPTPVKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFNRDGSLIVSSSYDGLCRIWDTASGQCLKTLIDDDNPPVSFVKFSPNGKYILAATLDNTLKLWDYSKGKCLKTYTGHKNEKYCIFANFSVTGGKWIVSGSEDNLVYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKLWKSDC

posex_set/posex_self_docking_set/7UAS_MBU/7UAS_MBU_protein.pdb

posex_set/posex_self_docking_set/7UAS_MBU/7UAS_MBU_ligand_start_conf.sdf

8EA6_VMB

CN(C)C(=O)[C@@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1

MGPLTESYCGPCPKNWICYKNNCYQFFDEEKNWYESQASCMSQNASLLKVYSKEDQDLLKLVKSYHWMGLVHIPTNGSWQWEDGSSLSPNLLTIIEMQKGDCALYASSFKGYIENCSTPNTYICMQRTV

posex_set/posex_self_docking_set/8EA6_VMB/8EA6_VMB_protein.pdb

posex_set/posex_self_docking_set/8EA6_VMB/8EA6_VMB_ligand_start_conf.sdf

7P5T_5YG

COc1ccc(CNc2ccc(Cc3ccncc3)cc2)cc1

GTEAPDVDLADGNFYASREARAAYRWMRANQPVFRDRNGLAAASTYQAVIDAERQPELFSNAGGIRPDQPALPMMIDMDDPAHLLRRKLVNAGFTRKRVKDKEASIAALCDTLIDAVCERGECDFVRDLAAPLPMAVIGDMLGVRPEQRDMFLRWSDDLVTFLSSHVSQEDFQITMDAFAAYNDFTRATIAARRADPTDDLVSVLVSSEVDGERLSDDELVMETLLILIGGDETTRHTLSGGTEQLLRNRDQWDLLQRDPSLLPGAIEEMLRWTAPVKNMCRVLTADTEFHGTALCAGEKMMLLFESANFDEAVFCEPEKFDVQRNPNSHLAFGFGTHFCLGNQLARLELSLMTERVLRRLPDLRLVADDSVLPLRPANFVSGLESMPVVFTPSPPLG

posex_set/posex_self_docking_set/7P5T_5YG/7P5T_5YG_protein.pdb

posex_set/posex_self_docking_set/7P5T_5YG/7P5T_5YG_ligand_start_conf.sdf

8PQB_9XO

CN(C)[C@@](C)(c1ccc(F)cc1)c1cnc(N2CCN(c3ncnn4cc(-c5cnn(C)c5)cc34)CC2)nc1

GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH

posex_set/posex_self_docking_set/8PQB_9XO/8PQB_9XO_protein.pdb

posex_set/posex_self_docking_set/8PQB_9XO/8PQB_9XO_ligand_start_conf.sdf

8DX8_T27

Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1

MVPISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFAAQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLSKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNKGRQKVVPLTNTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDKSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAG|PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFKKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLSKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQ

posex_set/posex_self_docking_set/8DX8_T27/8DX8_T27_protein.pdb

posex_set/posex_self_docking_set/8DX8_T27/8DX8_T27_ligand_start_conf.sdf

9INW_A1L2V

O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc(O)cc1O

MTVFRQENVDDYYDTGEELGSGQFAVVKKCREKSTGLQYAAKFIKKRRTKSSRRGVSREDIEREVSILKEIQHPNVITLHEVYENKTDVILILELVAGGELFDFLAEKESLTEEEATEFLKQILNGVYYLHSLQIAHFDLKPENIMLLDRNVPKPRIKIIDFGLAHKIDFGNEFKNIFGTPEFVAPEIVNYEPLGLEADMWSIGVITYILLSGASPFLGDTKQETLANVSAVNYEFEDEYFSNTSALAKDFIRRLLVKDPKKRMTIQDSLQHPWIKPKDTQQALSLEHHHHHH

posex_set/posex_self_docking_set/9INW_A1L2V/9INW_A1L2V_protein.pdb

posex_set/posex_self_docking_set/9INW_A1L2V/9INW_A1L2V_ligand_start_conf.sdf

7V0H_OUO

O=C(O)CC[C@H](CO)C(=O)O

MAHHHHHHMSKLAGKVAIVTGASKGIGAAIAKALADEGAAVVVNYASSKAGADAVVSAITEAGGRAVAVGGDVSKAADAQRIVDTAIETYGRLDVLVNNSGVYEFAPIEAITEEHYRRQFDTNVFGVLLTTQAAVKHLGEGASIINISSVVTSITPPASAVYSGTKGAVDAITGVLALELGPRKIRVNAINPGMIVTEGTHSAGIIGSDLEAQVLGQTPLGRLGEPNDIASVAVFLASDDARWMTGEHLVVSGGLN

posex_set/posex_self_docking_set/7V0H_OUO/7V0H_OUO_protein.pdb

posex_set/posex_self_docking_set/7V0H_OUO/7V0H_OUO_ligand_start_conf.sdf

9AZX_A1AH3

N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

posex_set/posex_self_docking_set/9AZX_A1AH3/9AZX_A1AH3_protein.pdb

posex_set/posex_self_docking_set/9AZX_A1AH3/9AZX_A1AH3_ligand_start_conf.sdf

8VV8_A1AEB

CNc1cc(C)nc(Nc2ccc(OC)c(OC[C@H](O)CN3CCC3)c2)n1

SNRAIRTEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDRNITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIFECNQACSCWRNCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICEYVGELISDAEADVREDDSYLFDLDNKDGEVYCIDARYYGNISRFINHLCDPNIIPVRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFTCQCGSEKCKHSAEAIALEQSRLARLD

posex_set/posex_self_docking_set/8VV8_A1AEB/8VV8_A1AEB_protein.pdb

posex_set/posex_self_docking_set/8VV8_A1AEB/8VV8_A1AEB_ligand_start_conf.sdf

7Y8C_IJV

COc1cc(C=O)cc(OC)c1O

MTLEKFVDALPIPDTLKPVQQSKEKTYYEVTMEECTHQLHRDLPPTRLWGYNGLFPGPTIEVKRNENVYVKWMNNLPSTHFLPIDHTIHHSDSQHEEPEVKTVVHLHGGVTPDDSDGYPEAWFSKDFEQTGPYFKREVYHYPNQQRGAILWYHDHAMALTRLNVYAGLVGAYIIHDPKEKRLKLPSDEYDVPLLITDRTINEDGSLFYPSAPENPSPSLPNPSIVPAFCGETILVNGKVWPYLEVEPRKYRFRVINASNTRTYNLSLDNGGDFIQIGSDGGLLPRSVKLNSFSLAPAERYDIIIDFTAYEGESIILANSAGCGGDVNPETDANIMQFRVTKPLAQKDESRKPKYLASYPSVQHERIQNIRTLKLAGTQDEYGRPVLLLNNKRWHDPVTETPKVGTTEIWSIINPTRGTHPIHLHLVSFRVLDRRPFDIARYQESGELSYTGPAVPPPPSEKGWKDTIQAHAGEVLRIAATFGPYSGRYVWHCHILEHEDYDMMRPMDITDPHK

posex_set/posex_self_docking_set/7Y8C_IJV/7Y8C_IJV_protein.pdb

posex_set/posex_self_docking_set/7Y8C_IJV/7Y8C_IJV_ligand_start_conf.sdf

8J2V_T83

COc1cc2ccc(=O)oc2cc1O

SSQLHVAIVSSPGMGHLIPVLVLGNRLATHHNIKITILAITTTSSSAETEFLKKTTLTNEEKTIEIIPVPSVDISHLINSSTKIFTQLRLLVREALPKIHSTIASMTHRPDALIVDIFCTQILPIAEEFNISKYTYHPTTAWTLALAIYCQVFDKEIEGEYVELKEPLKIPGCKALRPDDVVDPLLDRSDQQYEEYVKLGKEYTDFDGILINTWEDLEPETINALRYNEKLRLLLKVPVFPIGPLRRKVETTLNDEVIQWLDKQNNESVLFVSFGSGGTLSTKQMTELAWGLELSQQKFVWVVRPPSDGDADSAYLNSAGKDTRDMSEYLPEGFLTRTKDMGLVVPMWANQVEILSHSSVGGFLTHCGWNSTVESLTNGVPMIAWPLHAEQKMNAAMLTEELGVAIRPAVLPTKKLVKREEIQGMVRILMQTKEGKRIKEKAKKLKKSAENALSDGGSSYNSICELVKDIRSREL

posex_set/posex_self_docking_set/8J2V_T83/8J2V_T83_protein.pdb

posex_set/posex_self_docking_set/8J2V_T83/8J2V_T83_ligand_start_conf.sdf

8P8Y_X78

CC(=O)Nc1nc2cccc(-c3c(C(=O)O)[nH]c4c(C(C)C)cccc34)c2s1

MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSV

posex_set/posex_self_docking_set/8P8Y_X78/8P8Y_X78_protein.pdb

posex_set/posex_self_docking_set/8P8Y_X78/8P8Y_X78_ligand_start_conf.sdf

7PJK_7SE

O=C1CC[C@H](n2nc3ccccc3n2)C(=O)N1

AMPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD

posex_set/posex_self_docking_set/7PJK_7SE/7PJK_7SE_protein.pdb

posex_set/posex_self_docking_set/7PJK_7SE/7PJK_7SE_ligand_start_conf.sdf

8V9I_A1AAN

Cc1ncc(C[n+]2c([C@@](C)(O)[P@](=O)(O)OCCc3cn([C@H](Cc4ccccc4)C(=O)O)nn3)sc(CCO[P@](=O)(O)OP(=O)(O)O)c2C)c(N)n1

MGSSHHHHHHSSGLVPRGSHMMNELPGTSDTPLLDQIHGPKDLKRLSREQLPALTEELRGEIVRVCSRGGLHLASSLGAVDIITALHYVLDSPRDRILFDVGHQAYAHKILTGRRDQMADIKKEGGISGFTKVSESEHDAITVGHASTSLANALGMALARDAQGKDFHVAAVIGDGSLTGGMALAALNTIGDMGRKMLIVLNDNEMSISENVGAMNKFMRGLQVQKWFQEGEGAGKKAVEAVSKPLADFMSRAKNSTRHFFDPASVNPFAAMGVRYVGPVDGHNVQELVWLLERLVDLDGPTILHIVTTKGKGLSYAEADPIYWHGPAKFDPATGEYVPSSAYSWSAAFGEAVTEWAKTDPRTFVVTPAMREGSGLVEFSRVHPHRYLDVGIAEEVAVTTAAGMALQGMRPVVAIYSTFLQRAYDQVLHDVAIEHLNVTFCIDRAGIVGADGATHNGVFDLSFLRSIPGVRIGLPKDAAELRGMLKYAQTHDGPFAIRYPRGNTAQVPAGTWPDLKWGEWERLKGGDDVVILAGGKALDYALKAAEDLPGVGVVNARFVKPLDEEMLREVGGRARALITVEDNTVVGGFGGAVLEALNSMNLHPTVRVLGIPDEFQEHATAESVHARAGIDAPAIRTVLAELGVDVPIEV

posex_set/posex_self_docking_set/8V9I_A1AAN/8V9I_A1AAN_protein.pdb

posex_set/posex_self_docking_set/8V9I_A1AAN/8V9I_A1AAN_ligand_start_conf.sdf

8PBO_Y5I

Cc1nnc(-c2ccc(OCCCOc3ccc(CCC(=O)O)c(F)c3)c(F)c2)s1

GLNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY

posex_set/posex_self_docking_set/8PBO_Y5I/8PBO_Y5I_protein.pdb

posex_set/posex_self_docking_set/8PBO_Y5I/8PBO_Y5I_ligand_start_conf.sdf

7XBN_PXI

CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@@H](C)C[C@H](C)C(=O)/C=C/[C@H]1C

MGSSHHHHHHSSGLVPRGSHMRRTQQGTTASPPVLDLGALGQDFAADPYPTYARLRAEGPAHRVRTPEGDEVWLVVGYDRARAVLADPRFSKDWRNSTTPLTEAEAALNHNMLESDPPRHTRLRKLVAREFTMRRVELLRPRVQEIVDGLVDAMLAAPDGRADLMESLAWPLPITVISELLGVPEPDRAAFRVWTDAFVFPDDPAQAQTAMAEMSGYLSRLIDSKRGQDGEDLLSALVRTSDEDGSRLTSEELLGMAXILLVAGHETTVNLIANGMYALLSHPDQLAALRADMTLLDGAVEEMLRYEGPVESATYRFPVEPVDLDGTVIPAGDTVLVVLADAHRTPERFPDPHRFDIRRDTAGHLAFGHGIHFCIGAPLARLEARIAVRALLERCPDLALDVSPGELVWYPNPMIRGLKALPIRWRRGREAGRRTGLEHHHHHH

posex_set/posex_self_docking_set/7XBN_PXI/7XBN_PXI_protein.pdb

posex_set/posex_self_docking_set/7XBN_PXI/7XBN_PXI_ligand_start_conf.sdf

8B2U_SAL

O=C(O)c1ccccc1O

MAHHHHHHVDDDDKMDTPSNSMRPVADDNIDHTSHTPNGVASAFILEATVNVISGPKVLMKQIPIWLPLGIADQKTYSFDSTTAAIMLASYTITHFGKANNPLVRVNRLGQGIPDHPLRLLRMGNQAFLQEFVLPPVQLPQYFTFDLTALKLVTQPLPAATWTDETPSNLSGALRPGLSFHPKLRPVLLPGKTGKKGHVSDLTAPDKIQTIVNLMQDFKIVPIDPAKSIIGIEVPELLVHKLTGKKMSQKNGQPIIPVLLPKYIGLDPISPGDLTMVITPDYDDCHSPASCSYLSEK

posex_set/posex_self_docking_set/8B2U_SAL/8B2U_SAL_protein.pdb

posex_set/posex_self_docking_set/8B2U_SAL/8B2U_SAL_ligand_start_conf.sdf

8OTV_W0O

CN1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1

SMERIEGASVGRCAASPYLRPLTLHYRQNGAQKSWDFMKTHDSVTVLLFNSSRRSLVLVKQFRPAVYAGEVERRFPGSLAAVDQDGPRELQPALPGSAGVTVELCAGLVDQPGLSLEEVACKEAWEECGYHLAPSDLRRVATYWSGVGLTGSRQTMFYTEVTDAQRSGPGGGLVEEGELIEVVHLPLEGAQAFADDPDIPKTLGVIFGVSWFLSQVAPNLDLQ

posex_set/posex_self_docking_set/8OTV_W0O/8OTV_W0O_protein.pdb

posex_set/posex_self_docking_set/8OTV_W0O/8OTV_W0O_ligand_start_conf.sdf

7ED2_A3P

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O

MTDSLLSLVLPDRVASAEVYDDPPGLSPLPEEEPLIARSVAKRRNEFVTVRYCARQALGELGVGPVPILKGDKGEPCWPDGVVGSLTHCQGFRGAVVGRSTDVRSVGIDAEPHDVLPNGVLDAITLPIERAELRGLPGDLHWDRILFCAKEATYKAWYPLTHRWLGFEDAHITFEVDGSGTAGSFRSRILIDPVAEHGPPLTALDGRWSVRDGLAVTAIVLLEHHHHHH

posex_set/posex_self_docking_set/7ED2_A3P/7ED2_A3P_protein.pdb

posex_set/posex_self_docking_set/7ED2_A3P/7ED2_A3P_ligand_start_conf.sdf

9C1R_A1ATS

Cn1ccc([C@H]2C[C@H](N(c3cc(F)c(NC(=O)c4ccnn(-c5ccc(F)cn5)c4=O)cc3F)c3nccn4nccc34)C2)n1

MQNTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARNMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIGEHHHHHH

posex_set/posex_self_docking_set/9C1R_A1ATS/9C1R_A1ATS_protein.pdb

posex_set/posex_self_docking_set/9C1R_A1ATS/9C1R_A1ATS_ligand_start_conf.sdf

7UP2_NZR

Cc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1

GSKLEFGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE

posex_set/posex_self_docking_set/7UP2_NZR/7UP2_NZR_protein.pdb

posex_set/posex_self_docking_set/7UP2_NZR/7UP2_NZR_ligand_start_conf.sdf

8FBU_XOL

O=C(Nc1nccs1)c1cccc2[nH]c(-c3ccccc3N3CCNCC3)nc12

GPGSKPHKFWNTQPVVQNDDSSSEYSFGPIEIEPDSFRKEIYKLPDGFSWFDCNLWDIESQDFEDTYQLLKDHYVEDDDSQFRFNYSKEFLRWALCVPGQKKNWLVGVRVNETKKMVGFISAIPIKVRIHNCIMNTSVVNFLCVHKKLRSKRLAPVLIKEITRRIRCEKIFQSIYTCGKNITKPFTIGTYWHRIINVKKLLEAGFIGIPRNMTMSSLIKYHRIPADKRIEGFRPSVDSDAEQICKLFENYFMKYKDVSNETMNNLINYDEINHSKELGKQAYMKLDKIEDLQDKITIHQCFNVEDVKHYFTNIDKVIVTYVRENKNKEITDLFSFFIIESTVINNERFPTINIAYSYFNIANTCSLKELFNEMLITAKNNNCDAFNTLDLMQNLQVIQDSKFIIGTGRLRYYVFNWKIPQISPSNVGIILF

posex_set/posex_self_docking_set/8FBU_XOL/8FBU_XOL_protein.pdb

posex_set/posex_self_docking_set/8FBU_XOL/8FBU_XOL_ligand_start_conf.sdf

7TE8_P0T

C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O

SEVQLQASGGGFVQPGGSLRLSCAASGSTSRQYDMGWFRQAPGKEREFVSAISSNQDQPPYYADSVKGRFTISRDNSKNTVYLQMNSLRAEDTATYYCAFKQHHANGAYWGQGTQVTVSS|SEVQLQASGGGFVQPGGSLRLSCAASGTTYGQTNMGWFRQAPGKEREFVSAISGLQGRDLYYADSVKGRFTISRDNSKNTVYLQMNSLRAEDTATYYCAFHDFLRMWEYWGQGTQVTVSS

posex_set/posex_self_docking_set/7TE8_P0T/7TE8_P0T_protein.pdb

posex_set/posex_self_docking_set/7TE8_P0T/7TE8_P0T_ligand_start_conf.sdf

5SD7_I0E

CCc1nc(N)nc(N)c1OCCCOc1ccccc1C[C@H](C)C(=O)O

MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND

posex_set/posex_self_docking_set/5SD7_I0E/5SD7_I0E_protein.pdb

posex_set/posex_self_docking_set/5SD7_I0E/5SD7_I0E_ligand_start_conf.sdf

8V4G_CDP

Nc1ccn([C@@H]2O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1

GHMNEILKKRLKLLKNNFGTHINKIANKKILITGANGYIGSILTLILHGNAKLYCLVRNKDKMIDRFQEICGDIDKIDIYEDLYKIQDKIDIVIHCAAPTQSDFFIENPIDTVDIIYTNTKNILDFSKKNNVEKIIFLSTMEIYGDVIGDNIVEDDIGKFSVTNIRNSYPLAKQISEFMVHSYSKKYSLSTAIVRLTQAIGPTAQINDNRVYMDFIRSAIKKSQITLFTKGETKREYIDVFDVATAIIFVMCEKKMFEIYNISNPNIFISIYDLAKTISAKLNVQVVFDLQRDTSQYLPSFSRRLNSKKIYQLGWTPLFDLNQSLDDMIKYIKEVNE

posex_set/posex_self_docking_set/8V4G_CDP/8V4G_CDP_protein.pdb

posex_set/posex_self_docking_set/8V4G_CDP/8V4G_CDP_ligand_start_conf.sdf

8SU1_210

NCCC(O)(P(=O)(O)O)P(=O)(O)O

MGSSHHHHHHSSGLVPRGSHMVHAFPHGTTATPTAIAVPPSLRLPVIEAAFPRQLHPYWPKLQETTRTWLLEKRLMPADKVEEYADGLCYTDLMAGYYLGAPDEVLQAIADYSAWFHVWDDRHDRDIVHGRAGAWRRLRGLLHTALDSPGDHLHHEDTLVAGFADSVRRLYAFLPATWNARFARHFHTVIEAYDREFHNRTRGIVPGVEEYLELRRLTFAHWIWTDLLEPSSGCELPDAVRKHPAYRRAALLSQEFAAWYNDLCSLPKEIAGDEVHNLGISLITHHSLTLEEAIGEVRRRVEECITEFLAVERDALRFADELADGTVRGKELSGAVRANVGNMRNWFSSVYWFHHESGRYMVDSWDDRSTPPYVNNEAAGEK

posex_set/posex_self_docking_set/8SU1_210/8SU1_210_protein.pdb

posex_set/posex_self_docking_set/8SU1_210/8SU1_210_ligand_start_conf.sdf

8JNC_E5I

CC[C@@H]1C[C@@H]2C[C@@H]3[C@H]4C/C=C\C(=O)NCC[C@H](O)[C@@H]5NC(=O)/C(=C(O)/C=C/[C@@H]4CC(=O)[C@H]3[C@@H]2[C@H]1C)C5=O

MPGQQEQQAPSEHPEQQELLTFPFASTGLEFPPVYHELYQQRLTKVRLPYGDDAYLAIRYADVKTVLSDSRFSIVASLGQDQPRTRAGARVGNGLFSLDPPQHSRLRSVLGRDFTPRRVEKLRERVRELTDQCLDRMEAAGSPADLVAHLAVPMPTAVVCEMMGVPEPDHHLFWGWAETILSNDTTPDDLIRRYQEFTAYMGAMVEERRARPTDDMFGMLVRACDEEGRITEIEMHALASDLLSAGFVSTAHQIANFTAMLLARPERLQPLVDKPEQIPAAVEELMRHVPILSGFSFPRYATEDLEMSGVTVRRGEAVIPVIAAANRDPDVYPDAGRLDLERNGLPHLGFGQGPHFCIGAHLARVELQVVLEALTERFPDLRFGIPENALKWKRGHFMNGLHELPVAW

posex_set/posex_self_docking_set/8JNC_E5I/8JNC_E5I_protein.pdb

posex_set/posex_self_docking_set/8JNC_E5I/8JNC_E5I_ligand_start_conf.sdf

8U0Z_N

O=P(O)(O)OC[C@H]1OC[C@H](O)[C@@H]1O

VKFRLPYGERVRLAKNPTGKKLFEIMIQKETNLCLAADVATAAELLDIADKVGPEICMLKTHVDILPDFTPDFGSKLRSIAEKHNFLIFEDRKFADIGNTVTMQYEGGIFKILDWADIVNAHIVSGPGIVDGLKLKGLPRGRGLLLLAEMSSSGNFAKGDYTAAAVKIAEGHSDFVIGFISVNPASWPSGPGNPALIHATPGVQLAKGGDALGQQYNTPFSVISERGSDIIIVGRGIIKAANPAEVAREYRLQGWDAYLLHCK

posex_set/posex_self_docking_set/8U0Z_N/8U0Z_N_protein.pdb

posex_set/posex_self_docking_set/8U0Z_N/8U0Z_N_ligand_start_conf.sdf

7ZUY_MTA

CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

MDYKDDDDKAAMAVGGAGGSRVSSGRDLNCVPEIADTLGAVAKQGFDFLCMPVFHPRFKREFIQEPAKNRPGPQTRSDLLLSGRDWNTLIVGKLSPWIRPDSKVEKIRRNSEAAMLQELNFGAYLGLPAFLLPLNQEDNTNLARVLTNHIHTGHHSSMFWMRVPLVAPEDLRDDIIENAPTTHTEEYSGEEKTWMWWHNFRTLCDYSKRIAVALEIGADLPSNHVIDRWLGEPIKAAILPTSIFLTNKKGFPVLSKMHQRLIFRLLKLEVQFIITGTNHHSEKEFCSYLQYLEYLSQNRPPPNAYELFAKGYEDYLQSPLQPLMDNLESQTYEVFEKDPIKYSQYQQAIYKCLLDRVPEEEKDTNVQVLMVLGAGRGPLVNASLRAAKQADRRIKLYAVEKNPNAVVTLENWQFEEWGSQVTVVSSDMREWVAPEKADIIVSELLGSFADNELSPECLDGAQHFLKDDGVSIPGEYTSFLAPISSSKLYNEVRACREKDRDPEAQFEMPYVVRLHNFHQLSAPQPCFTFSHPNRDPMIDNNRYCTLEFPVEVNTVLHGFAGYFETVLYQDITLSIRPETHSPGMFSWFPILFPIKQPITVREGQTICVRFWRCSNSKKVWYEWAVTAPVCSAIHNPTGRSYTIGL|MHHHHHHHHRKETPPPLVPPAAREWNLPPNAPACMERQLEAARYRSDGALLLGASSLSGRCWAGSLWLFKDPCAAPNEGFCSAGVQTEAGVADLTWVGERGILVASDSGAVELWELDENETLIVSKFCKYEHDDIVSTVSVLSSGTQAVSGSKDICIKVWDLAQQVVLSSYRAHAAQVTCVAASPHKDSVFLSCSEDNRILLWDTRCPKPASQIGCSAPGYLPTSLAWHPQQSEVFVFGDENGTVSLVDTKSTSCVLSSAVHSQCVTGLVFSPHSVPFLASLSEDCSLAVLDSSLSELFRSQAHRDFVRDATWSPLNHSLLTTVGWDHQVVHHVVPTEPLPAPGPASVTE

posex_set/posex_self_docking_set/7ZUY_MTA/7ZUY_MTA_protein.pdb

posex_set/posex_self_docking_set/7ZUY_MTA/7ZUY_MTA_ligand_start_conf.sdf