CataAI/PoseX · Datasets at AI快站

7LE6_K2E

CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2

PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF

posex_set/posex_cross_docking_set/7LE6_K2E/7LE6_K2E_protein.pdb

posex_set/posex_cross_docking_set/7LE6_K2E/7LE6_K2E_ligand_start_conf.sdf

8V6W_YHS

Cc1cc(C)cc(-c2onc3ccc(-c4nnn[nH]4)cc23)c1

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN

posex_set/posex_cross_docking_set/8V6W_YHS/8V6W_YHS_protein.pdb

posex_set/posex_cross_docking_set/8V6W_YHS/8V6W_YHS_ligand_start_conf.sdf

7Q8Z_9IV

Clc1ccccc1Oc1ccc(Nc2ncnc3[nH]ccc23)cc1

SMSGGGEQPDILSVGILVKERWKVLRKIGGGGFGEIYDALDMLTRENVALKVESAQQPKQVLKMEVAVLKKLQGKDHVCRFIGCGRNDRFNYVVMQLQGRNLADLRRSQSRGTFTISTTLRLGRQILESIESIHSVGFLHRDIKPSNFAMGRFPSTCRKCYMLDFGLARQFTNSCGDVRPPRAVAGFRGTVRYASINAHRNREMGRHDDLWSLFYMLVEFVVGQLPWRKIKDKEQVGSIKERYDHRLMLKHLPPEFSIFLDHISSLDYFTKPDYQLLTSVFDNSIKTFGVIESDPFDWEK

posex_set/posex_cross_docking_set/7Q8Z_9IV/7Q8Z_9IV_protein.pdb

posex_set/posex_cross_docking_set/7Q8Z_9IV/7Q8Z_9IV_ligand_start_conf.sdf

9CE4_ZXP

C[C@@]1(N2CCN(c3cc4cc(NC(=O)[C@H]5CC56CCOCC6)ncc4cc3Cl)CC2)COC[C@@H]1O

PFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKK

posex_set/posex_cross_docking_set/9CE4_ZXP/9CE4_ZXP_protein.pdb

posex_set/posex_cross_docking_set/9CE4_ZXP/9CE4_ZXP_ligand_start_conf.sdf

7ENZ_7UM

CCCn1cnc2c1c(=O)[nH]c(=O)n2C

AAHGSNPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD

posex_set/posex_cross_docking_set/7ENZ_7UM/7ENZ_7UM_protein.pdb

posex_set/posex_cross_docking_set/7ENZ_7UM/7ENZ_7UM_ligand_start_conf.sdf

8CQH_SFG

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O

SGGGRGRMLGEMWKAQLNQLTRQEFMEYRRDGIIEVDRSAARKARREGNVTGGHPVSRGTAKLRWMVERGFVKPHGKVIDLGCGRGGWSYYCATLKLVQEVKGYTKGGPGHEEPVMMQSYGWNLVSLKSGVDVFYRPSEQSDTLLCDIGEASPVPEIEEARTVKVLQMVEEWLSRGVEDFCVKILCPYMPKVLKELEKMQLRWGGGLIRVPLSRNSNHEMYWVSGASGNITNSVNTVSQMLINRMNRTNRNGPKYEEDVHLGSGTRAV

posex_set/posex_cross_docking_set/8CQH_SFG/8CQH_SFG_protein.pdb

posex_set/posex_cross_docking_set/8CQH_SFG/8CQH_SFG_ligand_start_conf.sdf

9EY3_Y6Z

C[C@H](C[C@@H]1CC[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@@H](C)/C=C/CC/C=C/C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O1

GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE

posex_set/posex_cross_docking_set/9EY3_Y6Z/9EY3_Y6Z_protein.pdb

posex_set/posex_cross_docking_set/9EY3_Y6Z/9EY3_Y6Z_ligand_start_conf.sdf

9F95_A1IAY

Nc1ccc(-c2cccc(O)c2)cc1C(=O)O

MGSSHHHHHHSSGLVPRGSHMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL

posex_set/posex_cross_docking_set/9F95_A1IAY/9F95_A1IAY_protein.pdb

posex_set/posex_cross_docking_set/9F95_A1IAY/9F95_A1IAY_ligand_start_conf.sdf

7GL3_X77

CC(C)(C)c1ccc(N(C(=O)c2c[nH]cn2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)cc1

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_cross_docking_set/7GL3_X77/7GL3_X77_protein.pdb

posex_set/posex_cross_docking_set/7GL3_X77/7GL3_X77_ligand_start_conf.sdf

7BKW_PHN

c1cnc2c(c1)ccc1cccnc12

STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGATTPTLGFASK

posex_set/posex_cross_docking_set/7BKW_PHN/7BKW_PHN_protein.pdb

posex_set/posex_cross_docking_set/7BKW_PHN/7BKW_PHN_ligand_start_conf.sdf

8GZC_6TI

COc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1

GPSLGYCCGRKLEFSPQTLCCYGKQLCTIPRDATYYSYQNRYHFCEKCFNEIQGESVSLGDDPSQPQTTINKEQFSKRKNDTLDPELFVECTECGRKMHQICVLHHEIIWPAGFVCDGCLKKSARTRKENKFSAKRLPSTRLGTFLENRVNDFLRRQNHPESGEVTVRVVHASDKTVEVKPGMKARFVDSGEMAESFPYRTKALFAFEEIDGVDLCFFGMHVQEYGSDCPPPNQRRVYISYLDSVHFFRPKCLRTAVYHEILIGYLEYVKKLGYTTGHIWACPPSEGDDYIFHCHPPDQKIPKPKRLQEWFKKMLDKAVSERIVHDYKDIFKQATEDRLTSAKELPYFEGDFWPNVLEESIKESGGSGSQKLYATMEKHKEVFFVIRLIAGPAANSLPPIVDPDPLIPCDLMDGRDAFLTLARDKHLEFSSLRRAQWSTMCMLVELHTQSQDRF

posex_set/posex_cross_docking_set/8GZC_6TI/8GZC_6TI_protein.pdb

posex_set/posex_cross_docking_set/8GZC_6TI/8GZC_6TI_ligand_start_conf.sdf

7RGY_5A4

CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(F)cc1[N+](=O)[O-]

MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI

posex_set/posex_cross_docking_set/7RGY_5A4/7RGY_5A4_protein.pdb

posex_set/posex_cross_docking_set/7RGY_5A4/7RGY_5A4_ligand_start_conf.sdf

7EGO_4I1

CCCCCCCCCCC/C=C\CCCCC(=O)O

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA

posex_set/posex_cross_docking_set/7EGO_4I1/7EGO_4I1_protein.pdb

posex_set/posex_cross_docking_set/7EGO_4I1/7EGO_4I1_ligand_start_conf.sdf

8B5G_LDR

O=c1[nH]c2ccccc2c2ccccc12

GSMGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD

posex_set/posex_cross_docking_set/8B5G_LDR/8B5G_LDR_protein.pdb

posex_set/posex_cross_docking_set/8B5G_LDR/8B5G_LDR_ligand_start_conf.sdf

8BPW_QQC

Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)n[nH]1

MGHHHHHHSSGVDLGTENLYFQSMDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG

posex_set/posex_cross_docking_set/8BPW_QQC/8BPW_QQC_protein.pdb

posex_set/posex_cross_docking_set/8BPW_QQC/8BPW_QQC_ligand_start_conf.sdf

7FUB_YMO

CCCc1cc(=O)n2nc(NCc3ccc(-c4ccccc4)cc3F)nc2[nH]1

GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF

posex_set/posex_cross_docking_set/7FUB_YMO/7FUB_YMO_protein.pdb

posex_set/posex_cross_docking_set/7FUB_YMO/7FUB_YMO_ligand_start_conf.sdf

7B9D_GQM

COc1ccc(-c2cc[nH]n2)c(O)c1

ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH

posex_set/posex_cross_docking_set/7B9D_GQM/7B9D_GQM_protein.pdb

posex_set/posex_cross_docking_set/7B9D_GQM/7B9D_GQM_ligand_start_conf.sdf

8V72_YJQ

O=C(Nc1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1)C1CC1

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN

posex_set/posex_cross_docking_set/8V72_YJQ/8V72_YJQ_protein.pdb

posex_set/posex_cross_docking_set/8V72_YJQ/8V72_YJQ_ligand_start_conf.sdf

7GZV_A1AK6

CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3C#N)cc12)c1ccc2c(c1)S(=O)(=O)CCC2

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

posex_set/posex_cross_docking_set/7GZV_A1AK6/7GZV_A1AK6_protein.pdb

posex_set/posex_cross_docking_set/7GZV_A1AK6/7GZV_A1AK6_ligand_start_conf.sdf

8BAJ_Y6Z

C[C@H](C[C@@H]1CC[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@@H](C)/C=C/CC/C=C/C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O1

GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNSKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE

posex_set/posex_cross_docking_set/8BAJ_Y6Z/8BAJ_Y6Z_protein.pdb

posex_set/posex_cross_docking_set/8BAJ_Y6Z/8BAJ_Y6Z_ligand_start_conf.sdf

7NGM_UBN

CCCCCCCCNC(=O)N1CCC(C)CC1

MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR

posex_set/posex_cross_docking_set/7NGM_UBN/7NGM_UBN_protein.pdb

posex_set/posex_cross_docking_set/7NGM_UBN/7NGM_UBN_ligand_start_conf.sdf

7USH_P4M

COc1cc2c(cc1OC)CC(=O)N(C)C=C2

GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD

posex_set/posex_cross_docking_set/7USH_P4M/7USH_P4M_protein.pdb

posex_set/posex_cross_docking_set/7USH_P4M/7USH_P4M_ligand_start_conf.sdf

7V16_OSX

Cc1ncsc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1

IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV

posex_set/posex_cross_docking_set/7V16_OSX/7V16_OSX_protein.pdb

posex_set/posex_cross_docking_set/7V16_OSX/7V16_OSX_ligand_start_conf.sdf

7B98_SWT

Cc1ccc(Sc2ccc3n[nH]c(=O)n3n2)cc1

ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH

posex_set/posex_cross_docking_set/7B98_SWT/7B98_SWT_protein.pdb

posex_set/posex_cross_docking_set/7B98_SWT/7B98_SWT_ligand_start_conf.sdf

5SB1_1IJ

Nc1ncc(Oc2cccc(CCNC(=O)c3cccc(OC(F)(F)F)c3)c2)cn1

PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH

posex_set/posex_cross_docking_set/5SB1_1IJ/5SB1_1IJ_protein.pdb

posex_set/posex_cross_docking_set/5SB1_1IJ/5SB1_1IJ_ligand_start_conf.sdf

8BK0_QU6

COc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cccnc4)nc4c3cnn4C)c2)c1

GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG

posex_set/posex_cross_docking_set/8BK0_QU6/8BK0_QU6_protein.pdb

posex_set/posex_cross_docking_set/8BK0_QU6/8BK0_QU6_ligand_start_conf.sdf

7B9D_SWT

Cc1ccc(Sc2ccc3n[nH]c(=O)n3n2)cc1

ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH

posex_set/posex_cross_docking_set/7B9D_SWT/7B9D_SWT_protein.pdb

posex_set/posex_cross_docking_set/7B9D_SWT/7B9D_SWT_ligand_start_conf.sdf

8BA3_Q7F

Cc1ccsc1CN(C)Cc1nc(N)nc(Nc2ccccc2)n1

VFHKIRNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHETEVLLKVLDKAHRNYSESFFEAASMMSKLSHKHLVLNYGVCVCGDENILVQEFVKFGSLDTYLKKNKNCINILWKLEVAKQLAAAMHFLEENTLIHGNVCAKNILLIREEDRKTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDRHQLPAPKAAELANLINNCMDYEPDHRPSFRAIIRDLNSLFTPDLVPRGSHHHHHH

posex_set/posex_cross_docking_set/8BA3_Q7F/8BA3_Q7F_protein.pdb

posex_set/posex_cross_docking_set/8BA3_Q7F/8BA3_Q7F_ligand_start_conf.sdf

7GLA_KG9

N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccccc34)C2)CC1

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_cross_docking_set/7GLA_KG9/7GLA_KG9_protein.pdb

posex_set/posex_cross_docking_set/7GLA_KG9/7GLA_KG9_ligand_start_conf.sdf

7FU9_YMI

Cn1nc(-c2ccc(F)cc2)cc1C(=O)O

GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF

posex_set/posex_cross_docking_set/7FU9_YMI/7FU9_YMI_protein.pdb

posex_set/posex_cross_docking_set/7FU9_YMI/7FU9_YMI_ligand_start_conf.sdf

9F95_A1IAV

Nc1ccc(-c2ccc(F)cc2)cc1C(=O)O

MGSSHHHHHHSSGLVPRGSHMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL

posex_set/posex_cross_docking_set/9F95_A1IAV/9F95_A1IAV_protein.pdb

posex_set/posex_cross_docking_set/9F95_A1IAV/9F95_A1IAV_ligand_start_conf.sdf

7FJT_SAH

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O

MTLGDLWKRRLNNCTKEEFFAYRRTGILETERDKARELLRKGETNMGLAVSRGTAKLAWLEERGYVNLKGEVVDLGCGRGGWSYYAASRPAVMGVKAYTIGGKGHEAPKMVTSLGWNLIKFRAGMDVFTMQPHRADTVMCDIGESSPDAAIEGERTRKVILLMEQWKNRNPSASCVFKVLAPYRPEVIEALHRFQLQWGGGLVRTPFSRNSTHEMYYSTAISGNIVNSVNVQSRKLLARFGDQRGPIRVPEMDLGVGTRHHHHHH

posex_set/posex_cross_docking_set/7FJT_SAH/7FJT_SAH_protein.pdb

posex_set/posex_cross_docking_set/7FJT_SAH/7FJT_SAH_ligand_start_conf.sdf

7GLF_S1U

CCN1CCN(c2ccc(NC(=O)CN3Cc4ccc(Cl)cc4[C@H](C(=O)Nc4cncc5ccccc45)C3)cc2)CC1

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_cross_docking_set/7GLF_S1U/7GLF_S1U_protein.pdb

posex_set/posex_cross_docking_set/7GLF_S1U/7GLF_S1U_ligand_start_conf.sdf

7BC9_T9Z

Oc1c(C[NH+]2CCOCC2)ccc2ccccc12

ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH

posex_set/posex_cross_docking_set/7BC9_T9Z/7BC9_T9Z_protein.pdb

posex_set/posex_cross_docking_set/7BC9_T9Z/7BC9_T9Z_ligand_start_conf.sdf

7FDT_2AN

O=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA

posex_set/posex_cross_docking_set/7FDT_2AN/7FDT_2AN_protein.pdb

posex_set/posex_cross_docking_set/7FDT_2AN/7FDT_2AN_ligand_start_conf.sdf

8SIV_UUF

CC(C)(O)[C@]12CN(c3cc(-n4ncc5ccc(-c6ccn[nH]6)cc54)ncn3)[C@H](C1)C2

MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH

posex_set/posex_cross_docking_set/8SIV_UUF/8SIV_UUF_protein.pdb

posex_set/posex_cross_docking_set/8SIV_UUF/8SIV_UUF_ligand_start_conf.sdf

8GD2_ZDF

CCN(CCn1cccn1)Cc1nc(C2(c3ccc(C)cc3)CCCC2)no1

MPVDFTGYWKMLVNENFEEYLRALDVNVALRKIANLLKPDKEIVQDGDHMIIRTLSTFRNYIMDFQVGKEFEEDLTGIDDRKCMTTVSWDGDKLQCVQKGEKEGRGWTQWIEGDELHLEMRVEGVVCKQVFKKVQHHHHHH

posex_set/posex_cross_docking_set/8GD2_ZDF/8GD2_ZDF_protein.pdb

posex_set/posex_cross_docking_set/8GD2_ZDF/8GD2_ZDF_ligand_start_conf.sdf

7NGW_UAT

CC1CCN(C(=O)NCc2ccccc2)CC1

MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR

posex_set/posex_cross_docking_set/7NGW_UAT/7NGW_UAT_protein.pdb

posex_set/posex_cross_docking_set/7NGW_UAT/7NGW_UAT_ligand_start_conf.sdf

7RGZ_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

MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI

posex_set/posex_cross_docking_set/7RGZ_D9J/7RGZ_D9J_protein.pdb

posex_set/posex_cross_docking_set/7RGZ_D9J/7RGZ_D9J_ligand_start_conf.sdf

7FTI_YUF

Cc1ccc(-c2cc(C(=O)O)c3c(c2)ncn3-c2ccccc2)c(Cl)c1

GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF

posex_set/posex_cross_docking_set/7FTI_YUF/7FTI_YUF_protein.pdb

posex_set/posex_cross_docking_set/7FTI_YUF/7FTI_YUF_ligand_start_conf.sdf

8SIV_A1AV4

Cn1cc(-n2ncc3cc(Cl)c([C@H]4CC[N@H+](C5COC5)CC4)cc32)cn1

MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH

posex_set/posex_cross_docking_set/8SIV_A1AV4/8SIV_A1AV4_protein.pdb

posex_set/posex_cross_docking_set/8SIV_A1AV4/8SIV_A1AV4_ligand_start_conf.sdf

7GZV_A1ALQ

Cn1ncc(-c2cc3c(N[C@H](c4ccc5c(n4)OCCO5)C(C)(C)C)ncnc3[nH]2)c1C#N

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

posex_set/posex_cross_docking_set/7GZV_A1ALQ/7GZV_A1ALQ_protein.pdb

posex_set/posex_cross_docking_set/7GZV_A1ALQ/7GZV_A1ALQ_ligand_start_conf.sdf

7FU9_YUB

O=c1cc(CNc2ccccc2F)[nH]c2nc(NCc3ccccc3Cl)nn12

GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF

posex_set/posex_cross_docking_set/7FU9_YUB/7FU9_YUB_protein.pdb

posex_set/posex_cross_docking_set/7FU9_YUB/7FU9_YUB_ligand_start_conf.sdf

8U2D_0BG

CN(CCNC(=O)CNc1ccccc1)c1ncnc2[nH]ccc12

GLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEE

posex_set/posex_cross_docking_set/8U2D_0BG/8U2D_0BG_protein.pdb

posex_set/posex_cross_docking_set/8U2D_0BG/8U2D_0BG_ligand_start_conf.sdf

7FDX_4I6

O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA

posex_set/posex_cross_docking_set/7FDX_4I6/7FDX_4I6_protein.pdb

posex_set/posex_cross_docking_set/7FDX_4I6/7FDX_4I6_ligand_start_conf.sdf

8GFF_UM9

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

MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS

posex_set/posex_cross_docking_set/8GFF_UM9/8GFF_UM9_protein.pdb

posex_set/posex_cross_docking_set/8GFF_UM9/8GFF_UM9_ligand_start_conf.sdf

7RH1_57I

CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccccc1[N+](=O)[O-]

MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI

posex_set/posex_cross_docking_set/7RH1_57I/7RH1_57I_protein.pdb

posex_set/posex_cross_docking_set/7RH1_57I/7RH1_57I_ligand_start_conf.sdf

7FVY_GFS

O=C(O)c1ccccc1C(=O)[C@H]1c2ccccc2S[C@@H]1c1csc2ccccc12

GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA

posex_set/posex_cross_docking_set/7FVY_GFS/7FVY_GFS_protein.pdb

posex_set/posex_cross_docking_set/7FVY_GFS/7FVY_GFS_ligand_start_conf.sdf

7PJK_A1HZ6

COc1ccccc1C1=NO[C@@]2(CCC(=O)NC2=O)C1

AMPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD

posex_set/posex_cross_docking_set/7PJK_A1HZ6/7PJK_A1HZ6_protein.pdb

posex_set/posex_cross_docking_set/7PJK_A1HZ6/7PJK_A1HZ6_ligand_start_conf.sdf

7ENZ_8M6

CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cccnc4C)n(Cc4ccco4)c(=O)c23)C1

AAHGSNPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD

posex_set/posex_cross_docking_set/7ENZ_8M6/7ENZ_8M6_protein.pdb

posex_set/posex_cross_docking_set/7ENZ_8M6/7ENZ_8M6_ligand_start_conf.sdf

7GAW_R4X

O=C(Nc1cncc2ccccc12)[C@@H]1CN(S(=O)(=O)N2CCC2)Cc2ccc(Cl)cc21

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_cross_docking_set/7GAW_R4X/7GAW_R4X_protein.pdb

posex_set/posex_cross_docking_set/7GAW_R4X/7GAW_R4X_ligand_start_conf.sdf

7UR3_N6M

CNc1ncnc2[nH]cnc12

MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKEDKEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKT

posex_set/posex_cross_docking_set/7UR3_N6M/7UR3_N6M_protein.pdb

posex_set/posex_cross_docking_set/7UR3_N6M/7UR3_N6M_ligand_start_conf.sdf

7FUQ_YME

O=C(O)c1cc(-c2ccccc2O)nc2c(Cl)cccc12

GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF

posex_set/posex_cross_docking_set/7FUQ_YME/7FUQ_YME_protein.pdb

posex_set/posex_cross_docking_set/7FUQ_YME/7FUQ_YME_ligand_start_conf.sdf

8V6W_YHW

c1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN

posex_set/posex_cross_docking_set/8V6W_YHW/8V6W_YHW_protein.pdb

posex_set/posex_cross_docking_set/8V6W_YHW/8V6W_YHW_ligand_start_conf.sdf

8BOM_QT1

Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C

GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG

posex_set/posex_cross_docking_set/8BOM_QT1/8BOM_QT1_protein.pdb

posex_set/posex_cross_docking_set/8BOM_QT1/8BOM_QT1_ligand_start_conf.sdf

9EY3_UUI

C=C[C@H]1CN(Cc2ccccn2)C(=O)[C@@H]2CCC[C@H]1N2[S@](=N)(=O)c1cc(Cl)cc(Cl)c1

GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE

posex_set/posex_cross_docking_set/9EY3_UUI/9EY3_UUI_protein.pdb

posex_set/posex_cross_docking_set/9EY3_UUI/9EY3_UUI_ligand_start_conf.sdf

7XBV_TRS

[NH3+]C(CO)(CO)CO

VTADAALEPDERAAWLAYNDTAEDFPGPHLLARLDAVAREHPDRPAVHAVDGVWTYRELHRRADAVAAFLAARGVRPGSVVAIAATRALAPYAALLGVLKAGCAYVPVNPDDPADRVAFVLADAGATPLLLDTDPASLPAAPAPDVPHEPDRVCYVIYTSGSTGRPKGVVMAERAVDNLTHWVVRRHDVRPDDRLGQTAPLTFDPSVQQVFPAWATGACLVTVPDDVQRDPAAFLDWLRAERVTHLDLVTSHWVHLLNAAEARPAELPDLRWIIIGGETYYYHQTHRWHRVVSSPARLNTIYGPTEAAVNATEHLTEPDLDHGQVPIGVPLPNYRLYALDDDGRLCPPGITGEIHIAGAGLARGYRSAEATAKAFHELEVHSGRTERLYRTGDLARLVRHADRWALEFQGRVDSQVKISGYRVELEEVDAAVKAVPGVRDAAVVVRGEPAEQLVCCYVGDVPPDRLRSRLTERLPAYLVPHLLVPVEALPFTRNGKMDTAELAELVRRFARDS

posex_set/posex_cross_docking_set/7XBV_TRS/7XBV_TRS_protein.pdb

posex_set/posex_cross_docking_set/7XBV_TRS/7XBV_TRS_ligand_start_conf.sdf

8R2B_XN8

COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@](C)(O)[C@H]2OC)C[C@]1(C)O)C(=O)c1c(O)ccc(O)c1C3=O

MAHHHHHHRSSTTANKERCLEMVAAWNRWDVSGVVAHWAPDVVHYDDEDKPVSAEEVVRRMNSAVEAFPDLRLDVRSIVGEGDRVMLRITCSATHQGVFMGIAPTGRKVRWTYLEELRFSEAGKVVEHWDVFNFSPLFRDLGVVPDGL

posex_set/posex_cross_docking_set/8R2B_XN8/8R2B_XN8_protein.pdb

posex_set/posex_cross_docking_set/8R2B_XN8/8R2B_XN8_ligand_start_conf.sdf

7FTI_YUB

O=c1cc(CNc2ccccc2F)[nH]c2nc(NCc3ccccc3Cl)nn12

GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF

posex_set/posex_cross_docking_set/7FTI_YUB/7FTI_YUB_protein.pdb

posex_set/posex_cross_docking_set/7FTI_YUB/7FTI_YUB_ligand_start_conf.sdf

7USG_8M6

CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cccnc4C)n(Cc4ccco4)c(=O)c23)C1

GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD

posex_set/posex_cross_docking_set/7USG_8M6/7USG_8M6_protein.pdb

posex_set/posex_cross_docking_set/7USG_8M6/7USG_8M6_ligand_start_conf.sdf

7HG1_X0S

CNS(=O)(=O)c1ccccc1Cl

GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS

posex_set/posex_cross_docking_set/7HG1_X0S/7HG1_X0S_protein.pdb

posex_set/posex_cross_docking_set/7HG1_X0S/7HG1_X0S_ligand_start_conf.sdf

7VS1_P4M

COc1cc2c(cc1OC)CC(=O)N(C)C=C2

GSHMQDPEQLKHCNGILKELLSSKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD

posex_set/posex_cross_docking_set/7VS1_P4M/7VS1_P4M_protein.pdb

posex_set/posex_cross_docking_set/7VS1_P4M/7VS1_P4M_ligand_start_conf.sdf

7HGE_VZP

CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1

GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS

posex_set/posex_cross_docking_set/7HGE_VZP/7HGE_VZP_protein.pdb

posex_set/posex_cross_docking_set/7HGE_VZP/7HGE_VZP_ligand_start_conf.sdf

7FUQ_YTU

O=c1cc(C(F)(F)F)[nH]c2nc(NCc3ccc(-c4ccccc4)cc3)nn12

GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF

posex_set/posex_cross_docking_set/7FUQ_YTU/7FUQ_YTU_protein.pdb

posex_set/posex_cross_docking_set/7FUQ_YTU/7FUQ_YTU_ligand_start_conf.sdf

7H0B_A1ANI

CCNC(=O)c1cc2c(N[C@H](c3ccc4nc(NC(C)=O)sc4c3)C(C)C)ncnc2[nH]1

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

posex_set/posex_cross_docking_set/7H0B_A1ANI/7H0B_A1ANI_protein.pdb

posex_set/posex_cross_docking_set/7H0B_A1ANI/7H0B_A1ANI_ligand_start_conf.sdf

8BK0_WT3

COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1F

GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG

posex_set/posex_cross_docking_set/8BK0_WT3/8BK0_WT3_protein.pdb

posex_set/posex_cross_docking_set/8BK0_WT3/8BK0_WT3_ligand_start_conf.sdf

7LDY_XUY

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2ncsc2c1

PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF

posex_set/posex_cross_docking_set/7LDY_XUY/7LDY_XUY_protein.pdb

posex_set/posex_cross_docking_set/7LDY_XUY/7LDY_XUY_ligand_start_conf.sdf

7LE5_K20

CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2

PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF

posex_set/posex_cross_docking_set/7LE5_K20/7LE5_K20_protein.pdb

posex_set/posex_cross_docking_set/7LE5_K20/7LE5_K20_ligand_start_conf.sdf

7RXO_8IQ

O=C(O)c1cc(OC(F)(F)F)ccc1NCCc1c[nH]c2ccccc12

MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL

posex_set/posex_cross_docking_set/7RXO_8IQ/7RXO_8IQ_protein.pdb

posex_set/posex_cross_docking_set/7RXO_8IQ/7RXO_8IQ_ligand_start_conf.sdf

5SGV_K9F

Cn1cc(-c2ccccc2)nc1CCc1cccc2nccnc12

GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED

posex_set/posex_cross_docking_set/5SGV_K9F/5SGV_K9F_protein.pdb

posex_set/posex_cross_docking_set/5SGV_K9F/5SGV_K9F_ligand_start_conf.sdf

7V1C_SAM

C[S@@+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

MTLGDLWKRRLNNCTKEEFFAYRRTGILETERDKARELLRKGETNMGLAVSRGTAKLAWLEERGYVNLKGEVVDLGCGRGGWSYYAASRPAVMGVKAYTIGGKGHEAPKMVTSLGWNLIKFRAGMDVFTMQPHRADTVMCDIGESSPDAAIEGERTRKVILLMEQWKNRNPSASCVFKVLAPYRPEVIEALHRFQLQWGGGLVRTPFSRNSTHEMYYSTAISGNIVNSVNVQSRKLLARFGDQRGPIRVPEMDLGVGTRHHHHHH

posex_set/posex_cross_docking_set/7V1C_SAM/7V1C_SAM_protein.pdb

posex_set/posex_cross_docking_set/7V1C_SAM/7V1C_SAM_ligand_start_conf.sdf

7HG8_A1A3P

CC(=O)c1ccc(NC(=O)CN2CCCC2)cc1

GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS

posex_set/posex_cross_docking_set/7HG8_A1A3P/7HG8_A1A3P_protein.pdb

posex_set/posex_cross_docking_set/7HG8_A1A3P/7HG8_A1A3P_ligand_start_conf.sdf

8QK9_A1H5P

CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1)S(C)(=O)=O

MATLFIADLHLCVEEPAITAGFLRFLAEEARKADALYILGDLFEAWIGDDDPNPLHRQMAAAIKAVSDSGVPCYFIHGNRDFLLGKRFARESGMTLLPEEKVLELYGRRVLIMHGDTLCTDDAGYQAFRAKVHKPWLQMLFLALPLFVRKRIAARMRANSKEANSSKSLAIMDVNQNAVVSAMEKHQVQWLIHGHTHRPAVHELIANQQPAFRVVLGAWHTEGSMVKVTADDVELIHFPFHHHHHH

posex_set/posex_cross_docking_set/8QK9_A1H5P/8QK9_A1H5P_protein.pdb

posex_set/posex_cross_docking_set/8QK9_A1H5P/8QK9_A1H5P_ligand_start_conf.sdf

7FUB_YUB

O=c1cc(CNc2ccccc2F)[nH]c2nc(NCc3ccccc3Cl)nn12

GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF

posex_set/posex_cross_docking_set/7FUB_YUB/7FUB_YUB_protein.pdb

posex_set/posex_cross_docking_set/7FUB_YUB/7FUB_YUB_ligand_start_conf.sdf

7LE4_A61

CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2ncsc2c1

PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF

posex_set/posex_cross_docking_set/7LE4_A61/7LE4_A61_protein.pdb

posex_set/posex_cross_docking_set/7LE4_A61/7LE4_A61_ligand_start_conf.sdf

7FDX_OCA

CCCCCCCC(=O)O

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA

posex_set/posex_cross_docking_set/7FDX_OCA/7FDX_OCA_protein.pdb

posex_set/posex_cross_docking_set/7FDX_OCA/7FDX_OCA_ligand_start_conf.sdf

5SFE_IYW

O=c1ccn(Cc2ccccc2)nc1-c1ccnn1-c1ccccc1

GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED

posex_set/posex_cross_docking_set/5SFE_IYW/5SFE_IYW_protein.pdb

posex_set/posex_cross_docking_set/5SFE_IYW/5SFE_IYW_ligand_start_conf.sdf

9EY4_A1H70

C=C[C@@H]1[C@H]2CCC[C@@H](C(=O)N3[C@H](C(=O)O)CC[C@@H]13)N2S(=O)(=O)c1cc(Cl)cc(Cl)c1

GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE

posex_set/posex_cross_docking_set/9EY4_A1H70/9EY4_A1H70_protein.pdb

posex_set/posex_cross_docking_set/9EY4_A1H70/9EY4_A1H70_ligand_start_conf.sdf

7USG_37T

Cn1cnc2c1c(=O)[nH]c(=O)n2C

GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD

posex_set/posex_cross_docking_set/7USG_37T/7USG_37T_protein.pdb

posex_set/posex_cross_docking_set/7USG_37T/7USG_37T_ligand_start_conf.sdf

8B9E_Q8U

Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2

VFHKIRNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHETEVLLKVLDKAHRNYSESFFEAASMMSKLSHKHLVLNYGVCFCGDENILVQEFVKFGSLDTYLKKNKNCINILWKLEVAKQLAWAMHFLEENTLIHGNVCAKNILLIREEDRKTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDRHQLPAPKAAELANLINNCMDYEPDHRPSFRAIIRDLNSLFTPDLVPRGSHHHHHH

posex_set/posex_cross_docking_set/8B9E_Q8U/8B9E_Q8U_protein.pdb

posex_set/posex_cross_docking_set/8B9E_Q8U/8B9E_Q8U_ligand_start_conf.sdf

7V12_ORU

[O-][n+]1cc(-c2c(-n3cnnn3)ccc(Cl)c2F)ccc1[C@@H](CC1CC1)n1cc(-c2cncs2)cn1

IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV

posex_set/posex_cross_docking_set/7V12_ORU/7V12_ORU_protein.pdb

posex_set/posex_cross_docking_set/7V12_ORU/7V12_ORU_ligand_start_conf.sdf

5SB1_1K2

O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc(Cl)cc(COc2cnc3[nH]ccc3c2)c1

PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH

posex_set/posex_cross_docking_set/5SB1_1K2/5SB1_1K2_protein.pdb

posex_set/posex_cross_docking_set/5SB1_1K2/5SB1_1K2_ligand_start_conf.sdf

7GL3_KG9

N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccccc34)C2)CC1

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_cross_docking_set/7GL3_KG9/7GL3_KG9_protein.pdb

posex_set/posex_cross_docking_set/7GL3_KG9/7GL3_KG9_ligand_start_conf.sdf

7LE0_065

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2

PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF

posex_set/posex_cross_docking_set/7LE0_065/7LE0_065_protein.pdb

posex_set/posex_cross_docking_set/7LE0_065/7LE0_065_ligand_start_conf.sdf

9FCD_SAM

C[S@@+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

GSTYDALRRQLIPSFDLLYGSAVSVVAMSVPATARILDLGAGTGLLGAALRERLPDAELLLQDRSQAMLEQARQRFADDDQVAIRVADHLDELPAGPFDAVVSALSIHHLEHQDKQDLFTRIRKILRPGGIFVNVEQVLAPTSELEKMYDRQHEAHVLASDTPAEEWAAGRERMKHDIPIDVETQIQWLRDAGFTTADCLAKDWRFATYAGWNGS

posex_set/posex_cross_docking_set/9FCD_SAM/9FCD_SAM_protein.pdb

posex_set/posex_cross_docking_set/9FCD_SAM/9FCD_SAM_ligand_start_conf.sdf

7H0S_A1AMD

CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3C#N)cc12)c1ccc2c(n1)OCCO2

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

posex_set/posex_cross_docking_set/7H0S_A1AMD/7H0S_A1AMD_protein.pdb

posex_set/posex_cross_docking_set/7H0S_A1AMD/7H0S_A1AMD_ligand_start_conf.sdf

7H01_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_cross_docking_set/7H01_A1AK3/7H01_A1AK3_protein.pdb

posex_set/posex_cross_docking_set/7H01_A1AK3/7H01_A1AK3_ligand_start_conf.sdf

7FUO_YMO

CCCc1cc(=O)n2nc(NCc3ccc(-c4ccccc4)cc3F)nc2[nH]1

GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF

posex_set/posex_cross_docking_set/7FUO_YMO/7FUO_YMO_protein.pdb

posex_set/posex_cross_docking_set/7FUO_YMO/7FUO_YMO_ligand_start_conf.sdf

8QQY_R0O

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C

GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG

posex_set/posex_cross_docking_set/8QQY_R0O/8QQY_R0O_protein.pdb

posex_set/posex_cross_docking_set/8QQY_R0O/8QQY_R0O_ligand_start_conf.sdf

8QTK_WUI

C[C@H](c1cnn(C)c1)n1cc(C(F)(F)F)cc(-c2cccc([C@]3(c4nncn4C)C[C@@H](C)C3)c2)c1=O

HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD

posex_set/posex_cross_docking_set/8QTK_WUI/8QTK_WUI_protein.pdb

posex_set/posex_cross_docking_set/8QTK_WUI/8QTK_WUI_ligand_start_conf.sdf

7PJK_MW6

Nc1cccc(SC[C@H]2CCC(=O)NC2=O)c1

AMPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD

posex_set/posex_cross_docking_set/7PJK_MW6/7PJK_MW6_protein.pdb

posex_set/posex_cross_docking_set/7PJK_MW6/7PJK_MW6_ligand_start_conf.sdf

7FW7_GFS

O=C(O)c1ccccc1C(=O)[C@H]1c2ccccc2S[C@@H]1c1csc2ccccc12

GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA

posex_set/posex_cross_docking_set/7FW7_GFS/7FW7_GFS_protein.pdb

posex_set/posex_cross_docking_set/7FW7_GFS/7FW7_GFS_ligand_start_conf.sdf

7V14_ORF

[O-][n+]1cc(-c2c(-n3cnnn3)ccc(Cl)c2F)ccc1[C@@H](CC1CC1)n1cc(-c2c(F)cncc2Cl)cn1

IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV

posex_set/posex_cross_docking_set/7V14_ORF/7V14_ORF_protein.pdb

posex_set/posex_cross_docking_set/7V14_ORF/7V14_ORF_ligand_start_conf.sdf

8V70_YHE

Cc1cc(C)cc(-c2onc3ccc(/C=C/C(=O)O)cc23)c1

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN

posex_set/posex_cross_docking_set/8V70_YHE/8V70_YHE_protein.pdb

posex_set/posex_cross_docking_set/8V70_YHE/8V70_YHE_ligand_start_conf.sdf

7FU0_YMO

CCCc1cc(=O)n2nc(NCc3ccc(-c4ccccc4)cc3F)nc2[nH]1

GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF

posex_set/posex_cross_docking_set/7FU0_YMO/7FU0_YMO_protein.pdb

posex_set/posex_cross_docking_set/7FU0_YMO/7FU0_YMO_ligand_start_conf.sdf

8FX0_IMU

Nc1nc2c([C@@H]3N[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c[nH]c2c(=O)[nH]1

MISSQQAMVHVVSRNAEGVIVVDGKAYPMAEELVATESVIQRSIKAVAKQIADFYRPLSHRDTHGGGGVAPISDENPLIIISVLKGSYIFTADMVRYLGDYGLPHVVDFLRVASYRGTSSTNKMQLLAETQFKALRGKHVLILEDIVDSGKTLRYILDKVQREHQPATLKVCVLADKPGGRRVTMQPDFVCLTVPNKYVIGYGFEVNDRFRCFRHIFTLRPGEARRYPAHL

posex_set/posex_cross_docking_set/8FX0_IMU/8FX0_IMU_protein.pdb

posex_set/posex_cross_docking_set/8FX0_IMU/8FX0_IMU_ligand_start_conf.sdf

7ENZ_O6O

O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)cccc12

AAHGSNPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD

posex_set/posex_cross_docking_set/7ENZ_O6O/7ENZ_O6O_protein.pdb

posex_set/posex_cross_docking_set/7ENZ_O6O/7ENZ_O6O_ligand_start_conf.sdf

8OHU_VON

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

MAFARGGLAQTASQTTSSPVRVGLSVDASALGHTIPPDYTGLSYEQAQMANPNYFSGANTQLAGFLRTLGRQGVLRIGGNTSEYTFWNRHAKPTAADEHLAAGPDKGHHAAAREVITPEAVNNLSEFLDKTGWKLIYGLNLGKGTPENAADEAAYVMETIGADRLLAFQLGNEPDLFYRNGIRPASYDFAAYAGDWQRFFTAIRKRVPNAPFAGPDTAYNTKWLVPFADKFKHDVKFISSHYYAEGPPTDPSMTIERLMKPNPRLLGETAGLKQVEADTGLPFRLTETNSCYQGGKQGVSDTFAAALWAGDLMYQQAAAGSTGINFHGGGYGWYTPVAGTPEDGFIARPEYYGMLLFAQAGAGQLLGAKLTDNSAAPLLTAYALRGTDGRTRIALFNKNLDADVEVAISGVASPSGTVLRLEAPRADDTTDVTFGGAPVGASGSWSPLVQEYVPGHSGQFVLHMRKASGALLEFA

posex_set/posex_cross_docking_set/8OHU_VON/8OHU_VON_protein.pdb

posex_set/posex_cross_docking_set/8OHU_VON/8OHU_VON_ligand_start_conf.sdf

8V6Y_YHS

Cc1cc(C)cc(-c2onc3ccc(-c4nnn[nH]4)cc23)c1

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN

posex_set/posex_cross_docking_set/8V6Y_YHS/8V6Y_YHS_protein.pdb

posex_set/posex_cross_docking_set/8V6Y_YHS/8V6Y_YHS_ligand_start_conf.sdf

8IVS_1TB

COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(C)nc(OC)n1

METDNVELAQSKRKVVLAEQGSFYIGGRTVTGPGKFDPSKPVIPYSNEGATFYINQMYVNFQAPVRPRGLPLVFWHGGGLTGHIWESTPDGRPGFQTLFVQDRHTVYTIDQPGRGRGNIPTFNGPFGQLEEESIVNTVTGNSSKEGAWVRDRLGPAPGQFFENSQFPRGYEDNYFKEMGFSPSISSDEIVDAVVKLVTHIGPCVLVTHAASGVLGMRVATHAKNVRGIVAYEPATSIFPKGKVPEIPPLADKKSQIFPPFEIQESYFKKLAKIPIQFVFGDNIPKNPKSAYWFLDWWRVTRYAHSLSLEAINKLGGQASLLDLPTAGLRGNTAFPFTDRNNVQVASLLSDFLGKHGLDQNESLEHHHHHH

posex_set/posex_cross_docking_set/8IVS_1TB/8IVS_1TB_protein.pdb

posex_set/posex_cross_docking_set/8IVS_1TB/8IVS_1TB_ligand_start_conf.sdf