CataAI/PoseX · Datasets at AI快站

7S98_ADE

Nc1ncnc2[nH]cnc12

HMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE

posex_set/posex_cross_docking_set/7S98_ADE/7S98_ADE_protein.pdb

posex_set/posex_cross_docking_set/7S98_ADE/7S98_ADE_ligand_start_conf.sdf

7RWF_88O

O=C(O)c1cc([N+](=O)[O-])ccc1NCCc1c[nH]c2cc(Cl)ccc12

FMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL

posex_set/posex_cross_docking_set/7RWF_88O/7RWF_88O_protein.pdb

posex_set/posex_cross_docking_set/7RWF_88O/7RWF_88O_ligand_start_conf.sdf

5SFB_IYW

O=c1ccn(Cc2ccccc2)nc1-c1ccnn1-c1ccccc1

GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED

posex_set/posex_cross_docking_set/5SFB_IYW/5SFB_IYW_protein.pdb

posex_set/posex_cross_docking_set/5SFB_IYW/5SFB_IYW_ligand_start_conf.sdf

7VRQ_O6O

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

GSHMQDPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYEYNPPDHDVVAMARKLQDVFEFRYAKMPD

posex_set/posex_cross_docking_set/7VRQ_O6O/7VRQ_O6O_protein.pdb

posex_set/posex_cross_docking_set/7VRQ_O6O/7VRQ_O6O_ligand_start_conf.sdf

5SMG_LPU

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

SMLFKDCSKVITGLHPTQAPTHLSVDTKFKTEGLCVDIPGIPKDMTYRRLISMMGFKMNYQVNGYPNMFITREEAIRHVRAWIGFDVEGCHATREAVGTNLPLQLGFSTGVNLVAVPTGYVDTPNNTDFSRVSAKPPPGDQFKHLIPLMYKGLPWNVVRIKIVQMLSDTLKNLSDRVVFVLWAHGFELTSMKYFVKIGPERTCCLCDRRATCFSTASDTYACWHHSIGFDYVYNPFMIDVQQWGFTGNLQSNHDLYCQVHGNAHVASCDAIMTRCLAVHECFVKRVDWTIEYPIIGDELKINAACRKVQHMVVKAALLADKFPVLHDIGNPKAIKCVPQADVEWKFYDAQPCSDKAYKIEELFYSYATHSDKFTDGVCLFWNCNVDRYPANSIVCRFDTRVLSNLNLPGCDGGSLYVNKHAFHTPAFDKSAFVNLKQLPFFYYSDSPCESHGKQVVSDIDYVPLKSATCITRCNLGGAVCRHHANEYRLYLDAYNMMISAGFSLWVYKQFDTYNLWNTFTRLQ

posex_set/posex_cross_docking_set/5SMG_LPU/5SMG_LPU_protein.pdb

posex_set/posex_cross_docking_set/5SMG_LPU/5SMG_LPU_ligand_start_conf.sdf

7ZGZ_IVG

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

MELYRDPSQPIEVRVRDLLSRMTLEEKVAQLGSVWGYELIDERGKFSREKAKELLKNGIGQITRPGGSTNLEPQEAAELVNEIQRFLVEETRLGIPAMIHEECLTGYMGLGGTNFPQAIAMASTWDPDLIEKMTTAVREDMRKIGAHQGLAPVLDVARDPRWGRTEETFGESPYLVARMGVSYVKGLQGEDIKKGVVATVKHFAGYSASEGGKNWAPTNIPEREFKEVFLFPFEAAVKEANVLSVMNSYSEIDGVPCAANRKLLTDILRKDWGFEGIVVSDYFAVKVLEDYHRIARDKSEAARLALEAGIDVELPKTECYQYLKDLVEKGIISEALIDEAVTRVLRLKFMLGLFENPYVEVEKAKIESHRDIALEIARKSIILLKNDGILPLQKNKKVALIGPNAGEVRNLLGDYMYLAHIRALLDNIDDVFGNPQIPRENYERLKKSIEEHMKSIPSVLDAFKEEGIEFEYAKGCEVTGEDRSGFEEAIEIAKKSDVAIVVVGDKSGLTLDCTTGESRDMANLKLPGVQEELVLEVAKTGKPVVLVLITGRPYSLKNVVDKVNAILQVWLPGEAGGRAIVDIIYGKVNPSGKLPISFPRSAGQIPVFHYVKPSGGRSHWHGDYVDESTKPLFPFGHGLSYTKFEYSNLRIEPKEVPPAGEVVIKVDVENIGDRDGDEVVQLYIGREFASVTRPVKELKGFKRVSLKAKEKKTVVFRLHMDVLAYYNRDMKLVVEPGEFKVMVGSSSEDIRLTGSFSVVGEKREVVGMRKFFTEACEEAAALEENLYFQGAHHHHHHHHHH

posex_set/posex_cross_docking_set/7ZGZ_IVG/7ZGZ_IVG_protein.pdb

posex_set/posex_cross_docking_set/7ZGZ_IVG/7ZGZ_IVG_ligand_start_conf.sdf

7GNL_KG9

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

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_cross_docking_set/7GNL_KG9/7GNL_KG9_protein.pdb

posex_set/posex_cross_docking_set/7GNL_KG9/7GNL_KG9_ligand_start_conf.sdf

7NGG_UBQ

CCCCCCCCCCCNC(=O)N1CCC(C)CC1

MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR

posex_set/posex_cross_docking_set/7NGG_UBQ/7NGG_UBQ_protein.pdb

posex_set/posex_cross_docking_set/7NGG_UBQ/7NGG_UBQ_ligand_start_conf.sdf

7NEO_R8X

COCCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccccc23)C1

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_cross_docking_set/7NEO_R8X/7NEO_R8X_protein.pdb

posex_set/posex_cross_docking_set/7NEO_R8X/7NEO_R8X_ligand_start_conf.sdf

8E80_ZXP

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

MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH

posex_set/posex_cross_docking_set/8E80_ZXP/8E80_ZXP_protein.pdb

posex_set/posex_cross_docking_set/8E80_ZXP/8E80_ZXP_ligand_start_conf.sdf

7NGJ_UBQ

CCCCCCCCCCCNC(=O)N1CCC(C)CC1

MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR

posex_set/posex_cross_docking_set/7NGJ_UBQ/7NGJ_UBQ_protein.pdb

posex_set/posex_cross_docking_set/7NGJ_UBQ/7NGJ_UBQ_ligand_start_conf.sdf

8QTK_WUQ

Cn1cnnc1[C@]1(c2cccc(-c3cc(C(F)(F)F)c[nH]c3=O)c2)C[C@H](C)C1

HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD

posex_set/posex_cross_docking_set/8QTK_WUQ/8QTK_WUQ_protein.pdb

posex_set/posex_cross_docking_set/8QTK_WUQ/8QTK_WUQ_ligand_start_conf.sdf

8V6W_YJQ

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

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN

posex_set/posex_cross_docking_set/8V6W_YJQ/8V6W_YJQ_protein.pdb

posex_set/posex_cross_docking_set/8V6W_YJQ/8V6W_YJQ_ligand_start_conf.sdf

7LE2_K2D

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)c1ccc(OC)cc1

PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF

posex_set/posex_cross_docking_set/7LE2_K2D/7LE2_K2D_protein.pdb

posex_set/posex_cross_docking_set/7LE2_K2D/7LE2_K2D_ligand_start_conf.sdf

7OF8_T6I

Cc1ccc([C@@H](NC(=O)[C@@H](F)c2ccc3c(c2)CCCC3)[C@@H](C)C(=O)O)cc1

GPKVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC

posex_set/posex_cross_docking_set/7OF8_T6I/7OF8_T6I_protein.pdb

posex_set/posex_cross_docking_set/7OF8_T6I/7OF8_T6I_ligand_start_conf.sdf

7FVU_IZ7

COc1c(C)c(C)c2onc(C)c2c1C/C=C(\C)CCC(=O)O

GSHMDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA

posex_set/posex_cross_docking_set/7FVU_IZ7/7FVU_IZ7_protein.pdb

posex_set/posex_cross_docking_set/7FVU_IZ7/7FVU_IZ7_ligand_start_conf.sdf

7V3S_A1ATS

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

MGSSHHHHHHGDSDISSPLLQNTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARDMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIG

posex_set/posex_cross_docking_set/7V3S_A1ATS/7V3S_A1ATS_protein.pdb

posex_set/posex_cross_docking_set/7V3S_A1ATS/7V3S_A1ATS_ligand_start_conf.sdf

9EY3_A1H78

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

GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE

posex_set/posex_cross_docking_set/9EY3_A1H78/9EY3_A1H78_protein.pdb

posex_set/posex_cross_docking_set/9EY3_A1H78/9EY3_A1H78_ligand_start_conf.sdf

8IXS_SIU

Cc1ccc([C@@H](NC(=O)Cc2ccc3c(c2)CCCC3)[C@@H](C)C(=O)O)cc1

LHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC

posex_set/posex_cross_docking_set/8IXS_SIU/8IXS_SIU_protein.pdb

posex_set/posex_cross_docking_set/8IXS_SIU/8IXS_SIU_ligand_start_conf.sdf

8V6Y_YJQ

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

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN

posex_set/posex_cross_docking_set/8V6Y_YJQ/8V6Y_YJQ_protein.pdb

posex_set/posex_cross_docking_set/8V6Y_YJQ/8V6Y_YJQ_ligand_start_conf.sdf

9GIC_A1ILR

N[C@H](CNC(=O)C1=[SH]CC=C1)C(=O)O

MSTRLKIVTIHQEPFVYVKPTLSDGTCKEEFTVNGDPVKKVICTGPNDTSPGSPRHTVPQCCYGFCIDLLIKLARTMNFTYEVHLVADGKFGTQERVNNSNKKEWNGMMGELLSGQADMIVAPLTINNERAQYIEFSKPFKYQGLTILVKKGTRITGINDPRLRNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAIQAVRDNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPWKQNVSLSILKSHENGFMEDLDKTWVRYQECDSR

posex_set/posex_cross_docking_set/9GIC_A1ILR/9GIC_A1ILR_protein.pdb

posex_set/posex_cross_docking_set/9GIC_A1ILR/9GIC_A1ILR_ligand_start_conf.sdf

9FCL_SAH

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

GSTYDALRRQLIPSFDLLYGSAVSVVAMSVPATARILDLGAGTGLLGAALRERLPDAELLLQDRSQAMLEQARQRFADDDQVAIRVADHLDELPAGPFDAVVSALSIHHLEHQDKQDLFTRIRKILRPGGIFVNVEQVLAPTSELEKMYDRQHEAHVLASDTPAEEWAAGRERMKHDIPIDVETQIQWLRDAGFTTADCLAKDWRFATYAGWNGS

posex_set/posex_cross_docking_set/9FCL_SAH/9FCL_SAH_protein.pdb

posex_set/posex_cross_docking_set/9FCL_SAH/9FCL_SAH_ligand_start_conf.sdf

7VKZ_7OU

O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1

MKPHNSEKYFVKNGQPHFLISGEVHYFRINPKLWRNHLQLLKQTGADTVSTYIPWDWHEIEEDDFDFEGKTHPARNLIRFIKLCKEENLDLIVKPGPYILAEYENQGLPSWLLKKLSKNAFALDENGNVISPDLVSYLSDEFLEYTFKWYDKVMPIISKHQKEHYGPITMMQLCNEIGVFQWLSGKSDYNPKVINLYKEFIIQRYKTIEKLNSVYSTNYNSFDDLKAPSGKIKLRSDYCAYFDFHLFFREYYNKYISILKNKIRSFGINIKLTHNIPGWIYGNASELPMLISTYSEIMKNHPDIIFGLDHIPEFVSFRNAHSDLACNKILEAMQPEAPVWAAGFQAGTREHHVKAYAKDLETFYIASLAHGIKGFNYYMFSQGINPEGKGFYGKTFYFQTALDAASNKLALYDSIKKVNRFIRKEQKDLLRTNVNSEICVGFYKPYFFTELISSQLLKEKKLNVEELGLYIDPRFLREEILFNGLLRGLQTLNYNYDVVDLENCDLKSLTAYKQLWITSAEFMDAETQNLLSEFVLNGGNLILYPAVPTLDNYLNRCEILKNNFGIEFITKDSSHKVSAFGIEDVFTAFSKKQIYNDTNSKPIAFTQENEICGIRKKIGKGELTILGFAFGYTSDEHLELIDKLVKLNKIKRELFVSDKDIQFVVRENNKSRYIFFLNYHNERKTFNYRKSSELKKKKSEEISIAPFSYKVIKENKLEHHHHHH

posex_set/posex_cross_docking_set/7VKZ_7OU/7VKZ_7OU_protein.pdb

posex_set/posex_cross_docking_set/7VKZ_7OU/7VKZ_7OU_ligand_start_conf.sdf

5SNO_V60

CC(C)CNC(=O)c1cc[nH]n1

MSRRRVVITGMGMLSPLGLDVPSSWEGILAGRSGIAPIEHMDLSAYSTRFGGSVKGFNVEEYLSAKEARKLDLFIQYGLAASFQAVRDSGLEVTDANRERIGVSMGSGIGGLTNIENNCRSLFEQGPRRISPFFVPGSIINMVSGFLSIHLGLQGPNYALTTAQTTGTHSIGMAARNIAYGEADVMVAGGSEMAACGLGLGGFGAARALSTRNDEPTRASRPWDRDRDGFVLSDGSGALVLEELEHARARGARIYAELVGFGMSGDAFHMTAPPEDGAGAARCMKNALRDAGLDPRQVDYINAHGTSTPAGDIAEIAAVKSVFGEHAHALSMSSTKSMTGHLLGAAGAVEAIFSVLALRDQVAPPTINLDNPDEGCDLDLVAHEAKPRKIDVALSNSFGFGGTNGTLVFRRFAD

posex_set/posex_cross_docking_set/5SNO_V60/5SNO_V60_protein.pdb

posex_set/posex_cross_docking_set/5SNO_V60/5SNO_V60_ligand_start_conf.sdf

7GL3_R7F

CC(C)(O)c1ccc2cncc(NC(=O)[C@@H]3CCNc4ccc(Cl)cc43)c2c1

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_cross_docking_set/7GL3_R7F/7GL3_R7F_protein.pdb

posex_set/posex_cross_docking_set/7GL3_R7F/7GL3_R7F_ligand_start_conf.sdf

8BK0_QTX

Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C

GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG

posex_set/posex_cross_docking_set/8BK0_QTX/8BK0_QTX_protein.pdb

posex_set/posex_cross_docking_set/8BK0_QTX/8BK0_QTX_ligand_start_conf.sdf

7YY0_QX4

Cc1ccc2oc(=O)cc(O)c2c1

SMTGAVCPGSFDPVTLGHLDVFERAAAQFDEVIVAVLINPNKAGMFTVDERIEMIRESTADLPNLRVESGQGLLVDFVRERGLNAIVKGLRTGTDFEYELQMAQMNKHIAGVDTFFVATAPAYSFVSSSLAKEVATYGGDVSALLPASVHQRLLGKLRGQAQ

posex_set/posex_cross_docking_set/7YY0_QX4/7YY0_QX4_protein.pdb

posex_set/posex_cross_docking_set/7YY0_QX4/7YY0_QX4_ligand_start_conf.sdf

7RH0_5EI

CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1cccc([N+](=O)[O-])c1

MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI

posex_set/posex_cross_docking_set/7RH0_5EI/7RH0_5EI_protein.pdb

posex_set/posex_cross_docking_set/7RH0_5EI/7RH0_5EI_ligand_start_conf.sdf

7V1C_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/7V1C_SAH/7V1C_SAH_protein.pdb

posex_set/posex_cross_docking_set/7V1C_SAH/7V1C_SAH_ligand_start_conf.sdf

8V73_YJQ

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

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN

posex_set/posex_cross_docking_set/8V73_YJQ/8V73_YJQ_protein.pdb

posex_set/posex_cross_docking_set/8V73_YJQ/8V73_YJQ_ligand_start_conf.sdf

7HG8_A1A34

COCC(=O)NCc1ccc(C)cc1

GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS

posex_set/posex_cross_docking_set/7HG8_A1A34/7HG8_A1A34_protein.pdb

posex_set/posex_cross_docking_set/7HG8_A1A34/7HG8_A1A34_ligand_start_conf.sdf

9C1R_5I9

O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ccnc4c3Oc3ccccc3N4)c(F)c2)CC1

MQNTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARNMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIGEHHHHHH

posex_set/posex_cross_docking_set/9C1R_5I9/9C1R_5I9_protein.pdb

posex_set/posex_cross_docking_set/9C1R_5I9/9C1R_5I9_ligand_start_conf.sdf

8J5E_TV0

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

STSDRLKAVEQNLYDVGPRDSGGREGPGHYIAISGNTAAGKTTLIETLAGSLRAAGADAVGVSERVFHHRYLKLMFSASADFAFPIQLSFMLERHLLLLDNLVRRGRTMVMERSHLDDAMFVREHVASGAITAAQQRAYTEVSGELNARIPNPDLIVLMNPEPELSLERLARAEAEGSRPREFPSDAAKRAWVHRWYDLYQELHDDYRRRAVDGDLRGTELLELDAAASPEEKIATVTARARSLVVG

posex_set/posex_cross_docking_set/8J5E_TV0/8J5E_TV0_protein.pdb

posex_set/posex_cross_docking_set/8J5E_TV0/8J5E_TV0_ligand_start_conf.sdf

7FDX_6NA

CCCCCC(=O)O

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA

posex_set/posex_cross_docking_set/7FDX_6NA/7FDX_6NA_protein.pdb

posex_set/posex_cross_docking_set/7FDX_6NA/7FDX_6NA_ligand_start_conf.sdf

7FW3_IWI

O=C(O)c1csc(Cc2cccc(Cl)c2)n1

GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA

posex_set/posex_cross_docking_set/7FW3_IWI/7FW3_IWI_protein.pdb

posex_set/posex_cross_docking_set/7FW3_IWI/7FW3_IWI_ligand_start_conf.sdf

7V16_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/7V16_ORF/7V16_ORF_protein.pdb

posex_set/posex_cross_docking_set/7V16_ORF/7V16_ORF_ligand_start_conf.sdf

7V16_OR0

Nc1ccc(-c2cnn([C@H](CC3CC3)c3ccc(-c4c(-n5cnnn5)ccc(Cl)c4F)c[n+]3[O-])c2)c(F)n1

IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV

posex_set/posex_cross_docking_set/7V16_OR0/7V16_OR0_protein.pdb

posex_set/posex_cross_docking_set/7V16_OR0/7V16_OR0_ligand_start_conf.sdf

8B5G_82V

O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)csc12

GSMGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD

posex_set/posex_cross_docking_set/8B5G_82V/8B5G_82V_protein.pdb

posex_set/posex_cross_docking_set/8B5G_82V/8B5G_82V_ligand_start_conf.sdf

7VL1_7OU

O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1

SEKYFVKNGQPHFLISGEVHYFRINPKLWRNHLQLLKQTGADTVSTYIPWDWHEIEEDDFDFEGKTHPARNLIRFIKLCKEENLDLIVKPGPYILAEYENQGLPSWLLKKLSKNAFALDENGNVISPDLVSYLSDEFLEYTFKWYDKVMPIISKHQKEHYGPITMMQLCNEIGVFQWLSGKSDYNPKVINLYKEFIIQRYKTIEKLNSVYSTNYNSFDDLKAPSGKIKLRSDYCAYFDFHLFFREYYNKYISILKNKIRSFGINIKLTHNIPGWIYGNASELPMLISTYSEIMKNHPDIIFGLDHIPEFVSFRNAHSDLACNKILEAMQPEAPVWAAEFQAGTREHHVKAYAKDLETFYIASLAHGIKGFNYYMFSQGINPEGKGFYGKTFYFQTALDAASNKLALYDSIKKVNRFIRKEQKDLLRTNVNSEICVGFYKPYFFTELISSQLLKEKKLNVEELGLYIDPRFLREEILFNGLLRGLQTLNYNYDVVDLENCDLKSLTAYKQLWITSAEFMDAETQNLLSEFVLNGGNLILYPAVPTLDNYLNRCEILKNNFGIEFITKDSSHKVSAFGIEDVFTAFSKKQIYNDTNSKPIAFTQENEICGIRKKIGKGELTILGFAFGYTSDEHLELIDKLVKLNKIKRELFVSDKDIQFVVRENNKSRYIFFLNYHNERKTFNYRKSSELKKKKSEEISIAPFSYKVIKENK

posex_set/posex_cross_docking_set/7VL1_7OU/7VL1_7OU_protein.pdb

posex_set/posex_cross_docking_set/7VL1_7OU/7VL1_7OU_ligand_start_conf.sdf

8RDS_A1HZ2

COc1ccc(C2=NO[C@@]3(CCC(=O)NC3=O)C2)c(OC)c1OC

AMPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD

posex_set/posex_cross_docking_set/8RDS_A1HZ2/8RDS_A1HZ2_protein.pdb

posex_set/posex_cross_docking_set/8RDS_A1HZ2/8RDS_A1HZ2_ligand_start_conf.sdf

5SGW_IYW

O=c1ccn(Cc2ccccc2)nc1-c1ccnn1-c1ccccc1

GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED

posex_set/posex_cross_docking_set/5SGW_IYW/5SGW_IYW_protein.pdb

posex_set/posex_cross_docking_set/5SGW_IYW/5SGW_IYW_ligand_start_conf.sdf

7V12_OQO

Cc1nc(N)ccc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1

IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV

posex_set/posex_cross_docking_set/7V12_OQO/7V12_OQO_protein.pdb

posex_set/posex_cross_docking_set/7V12_OQO/7V12_OQO_ligand_start_conf.sdf

7V17_OSX

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

IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV

posex_set/posex_cross_docking_set/7V17_OSX/7V17_OSX_protein.pdb

posex_set/posex_cross_docking_set/7V17_OSX/7V17_OSX_ligand_start_conf.sdf

7USG_P4M

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

GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD

posex_set/posex_cross_docking_set/7USG_P4M/7USG_P4M_protein.pdb

posex_set/posex_cross_docking_set/7USG_P4M/7USG_P4M_ligand_start_conf.sdf

7V12_OQ6

COC(=O)Nc1ccc(-c2cnn([C@H](CC3CC3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1

IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV

posex_set/posex_cross_docking_set/7V12_OQ6/7V12_OQ6_protein.pdb

posex_set/posex_cross_docking_set/7V12_OQ6/7V12_OQ6_ligand_start_conf.sdf

7GCE_LJ0

Cc1ccncc1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_cross_docking_set/7GCE_LJ0/7GCE_LJ0_protein.pdb

posex_set/posex_cross_docking_set/7GCE_LJ0/7GCE_LJ0_ligand_start_conf.sdf

7LDY_NF7

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)c1ccc([C@@H](O)CO)cc1

PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF

posex_set/posex_cross_docking_set/7LDY_NF7/7LDY_NF7_protein.pdb

posex_set/posex_cross_docking_set/7LDY_NF7/7LDY_NF7_ligand_start_conf.sdf

8BM8_QU6

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

GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG

posex_set/posex_cross_docking_set/8BM8_QU6/8BM8_QU6_protein.pdb

posex_set/posex_cross_docking_set/8BM8_QU6/8BM8_QU6_ligand_start_conf.sdf

9F93_A1IAY

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

MGSSHHHHHHSSGLVPRGSHMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL

posex_set/posex_cross_docking_set/9F93_A1IAY/9F93_A1IAY_protein.pdb

posex_set/posex_cross_docking_set/9F93_A1IAY/9F93_A1IAY_ligand_start_conf.sdf

7FEZ_2AN

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

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA

posex_set/posex_cross_docking_set/7FEZ_2AN/7FEZ_2AN_protein.pdb

posex_set/posex_cross_docking_set/7FEZ_2AN/7FEZ_2AN_ligand_start_conf.sdf

7V14_OR0

Nc1ccc(-c2cnn([C@H](CC3CC3)c3ccc(-c4c(-n5cnnn5)ccc(Cl)c4F)c[n+]3[O-])c2)c(F)n1

IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV

posex_set/posex_cross_docking_set/7V14_OR0/7V14_OR0_protein.pdb

posex_set/posex_cross_docking_set/7V14_OR0/7V14_OR0_ligand_start_conf.sdf

8OHV_VGO

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

MAFARGGLAQTASQTTSSPVRVGLSVDASALGHTIPPDYTGLSYEQAQMANPNYFSGANTQLAGFLRTLGRQGVLRIGGNTSEYTFWNRHAKPTAADEHLAAGPDKGHHAAAREVITPEAVNNLSEFLDKTGWKLIYGLNLGKGTPENAADEAAYVMETIGADRLLAFQLGNEPDLFYRNGIRPASYDFAAYAGDWQRFFTAIRKRVPNAPFAGPDTAYNTKWLVPFADKFKHDVKFISSHYYAEGPPTDPSMTIERLMKPNPRLLGETAGLKQVEADTGLPFRLTETNSCYQGGKQGVSDTFAAALWAGDLMYQQAAAGSTGINFHGGGYGWYTPVAGTPEDGFIARPEYYGMLLFAQAGAGQLLGAKLTDNSAAPLLTAYALRGTDGRTRIALFNKNLDADVEVAISGVASPSGTVLRLEAPRADDTTDVTFGGAPVGASGSWSPLVQEYVPGHSGQFVLHMRKASGALLEFA

posex_set/posex_cross_docking_set/8OHV_VGO/8OHV_VGO_protein.pdb

posex_set/posex_cross_docking_set/8OHV_VGO/8OHV_VGO_ligand_start_conf.sdf

8ARJ_A1IJ8

CCn1nc(Cl)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1-c1nn(C)cc1C2

GSNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMAGGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKV

posex_set/posex_cross_docking_set/8ARJ_A1IJ8/8ARJ_A1IJ8_protein.pdb

posex_set/posex_cross_docking_set/8ARJ_A1IJ8/8ARJ_A1IJ8_ligand_start_conf.sdf

8BIN_WT3

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

GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG

posex_set/posex_cross_docking_set/8BIN_WT3/8BIN_WT3_protein.pdb

posex_set/posex_cross_docking_set/8BIN_WT3/8BIN_WT3_ligand_start_conf.sdf

8S5B_DO7

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

MDAELKIFVSSQHQPDIWRKALDQYEAKTPGVKVVIETGGNTSEMQAQYLNTVMSAKDSSLDVLMLDVIRPAQFATAGWTSDFSGKDLSAYLPTYAEANTVNGKIVALPAFADSMFLYYRKDLLDKYGIKPPTTWDELKEASKKVMEGEKNPELQGLSFQGKAIEGAVCTFLLPYWSEGKSLVENGKLNFDNKAAVDSLKLWKSFVDDGISKKNISEVATDDTRKEFQAGKVLFAVNWSYAWTHFQGKESQVNDKVGVARLPAVKGGEQTTCLGGWEFGVSAYSKQQDEAKKLVEYLSSQDVSKFMAINAALLPTYAALYKDADVTKTIPWFADALPVVETAKARPVTPRYNEVSETIRTTVNGVLAGVMTPEDGAKQMESRLRRVLRLEHHHHHH

posex_set/posex_cross_docking_set/8S5B_DO7/8S5B_DO7_protein.pdb

posex_set/posex_cross_docking_set/8S5B_DO7/8S5B_DO7_ligand_start_conf.sdf

7FU9_YME

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

GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF

posex_set/posex_cross_docking_set/7FU9_YME/7FU9_YME_protein.pdb

posex_set/posex_cross_docking_set/7FU9_YME/7FU9_YME_ligand_start_conf.sdf

8BXC_QQC

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

MHHHHHHSSGVDLGTENLYFQSMDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG

posex_set/posex_cross_docking_set/8BXC_QQC/8BXC_QQC_protein.pdb

posex_set/posex_cross_docking_set/8BXC_QQC/8BXC_QQC_ligand_start_conf.sdf

7HG3_EJQ

O=C(CN1CCCC1)Nc1ccc(F)cc1

GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS

posex_set/posex_cross_docking_set/7HG3_EJQ/7HG3_EJQ_protein.pdb

posex_set/posex_cross_docking_set/7HG3_EJQ/7HG3_EJQ_ligand_start_conf.sdf

5SKN_IYW

O=c1ccn(Cc2ccccc2)nc1-c1ccnn1-c1ccccc1

GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED

posex_set/posex_cross_docking_set/5SKN_IYW/5SKN_IYW_protein.pdb

posex_set/posex_cross_docking_set/5SKN_IYW/5SKN_IYW_ligand_start_conf.sdf

7UU0_37T

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

MHHHHHHSSGVDLGTENLYFQSMGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD

posex_set/posex_cross_docking_set/7UU0_37T/7UU0_37T_protein.pdb

posex_set/posex_cross_docking_set/7UU0_37T/7UU0_37T_ligand_start_conf.sdf

7HGE_A1A3P

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

GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS

posex_set/posex_cross_docking_set/7HGE_A1A3P/7HGE_A1A3P_protein.pdb

posex_set/posex_cross_docking_set/7HGE_A1A3P/7HGE_A1A3P_ligand_start_conf.sdf

7RGY_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/7RGY_D9J/7RGY_D9J_protein.pdb

posex_set/posex_cross_docking_set/7RGY_D9J/7RGY_D9J_ligand_start_conf.sdf

8OHU_VP5

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

MAFARGGLAQTASQTTSSPVRVGLSVDASALGHTIPPDYTGLSYEQAQMANPNYFSGANTQLAGFLRTLGRQGVLRIGGNTSEYTFWNRHAKPTAADEHLAAGPDKGHHAAAREVITPEAVNNLSEFLDKTGWKLIYGLNLGKGTPENAADEAAYVMETIGADRLLAFQLGNEPDLFYRNGIRPASYDFAAYAGDWQRFFTAIRKRVPNAPFAGPDTAYNTKWLVPFADKFKHDVKFISSHYYAEGPPTDPSMTIERLMKPNPRLLGETAGLKQVEADTGLPFRLTETNSCYQGGKQGVSDTFAAALWAGDLMYQQAAAGSTGINFHGGGYGWYTPVAGTPEDGFIARPEYYGMLLFAQAGAGQLLGAKLTDNSAAPLLTAYALRGTDGRTRIALFNKNLDADVEVAISGVASPSGTVLRLEAPRADDTTDVTFGGAPVGASGSWSPLVQEYVPGHSGQFVLHMRKASGALLEFA

posex_set/posex_cross_docking_set/8OHU_VP5/8OHU_VP5_protein.pdb

posex_set/posex_cross_docking_set/8OHU_VP5/8OHU_VP5_ligand_start_conf.sdf

9F93_A1IAW

CCOc1cccc(C(=O)O)c1N

MGSSHHHHHHSSGLVPRGSHMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL

posex_set/posex_cross_docking_set/9F93_A1IAW/9F93_A1IAW_protein.pdb

posex_set/posex_cross_docking_set/9F93_A1IAW/9F93_A1IAW_ligand_start_conf.sdf

7USG_7UM

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

GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD

posex_set/posex_cross_docking_set/7USG_7UM/7USG_7UM_protein.pdb

posex_set/posex_cross_docking_set/7USG_7UM/7USG_7UM_ligand_start_conf.sdf

8GEZ_ZHE

CC(=O)N[C@H]1[C@H](OCC2CCCCC2)O[C@H](CO)[C@@H](O)[C@@H]1O

MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS

posex_set/posex_cross_docking_set/8GEZ_ZHE/8GEZ_ZHE_protein.pdb

posex_set/posex_cross_docking_set/8GEZ_ZHE/8GEZ_ZHE_ligand_start_conf.sdf

9EY4_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/9EY4_UUI/9EY4_UUI_protein.pdb

posex_set/posex_cross_docking_set/9EY4_UUI/9EY4_UUI_ligand_start_conf.sdf

8VQ3_A1AC5

CNC(=O)[C@@H](NC(=O)[C@@H]1CN(C(=O)c2cnn(Cc3ccccc3)c2)CC12CN(C(=O)[C@H]1CC1(C)C)C2)[C@@H](C)OCCC1CCCCC1

MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL|GSIIAPSRGSPLPVLSWANREEVWKIMLNKEKTYLRDQHFLEQHPLLQPKMRAILLDWLMEVCEVYKLHRETFYLAQDFFDRYMATQENVVKTLLQLIGISSLFIAAKLEEIYPPKLHQFAYVTDGACSGDEILTMELMIMKALKWRLSPLTIVSWLNVYMQVAYLNDLHEVLLPQYPQQIFIQIAELLDLCVLDVDCLEFPYGILAASALYHFSSSELMQKVSGYQWCDIENCVKWMVPFAMVIRETGSSKLKHFRGVADEDAHNIQTHRDSLDLLDKARAKKA

posex_set/posex_cross_docking_set/8VQ3_A1AC5/8VQ3_A1AC5_protein.pdb

posex_set/posex_cross_docking_set/8VQ3_A1AC5/8VQ3_A1AC5_ligand_start_conf.sdf

7HG1_A1A34

COCC(=O)NCc1ccc(C)cc1

GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS

posex_set/posex_cross_docking_set/7HG1_A1A34/7HG1_A1A34_protein.pdb

posex_set/posex_cross_docking_set/7HG1_A1A34/7HG1_A1A34_ligand_start_conf.sdf

7LDY_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/7LDY_K2E/7LDY_K2E_protein.pdb

posex_set/posex_cross_docking_set/7LDY_K2E/7LDY_K2E_ligand_start_conf.sdf

8JM5_FQ6

O=Cc1ccc2c(c1)COCO2

IDHHHHHHLANTSAHDFSYLKFVYNATDTSLEGSYDYIVIGGGTSGCPLAATLSEKYKVLLLERGTIATEYPNTLTADGFAYNLQQQDDGKTPVERFVSEDGIDNVRARILGGTTIINAGVYARANISFYSQTGIEWDLDLVNKTYEWVEDAIVVKPNNQSWQSVIGEGFLEAGILPDNGFSLDHEAGTRLTGSTFDNNGTRHAADELLNKGDPNNLLVAVQASVEKILFSSNTSNLSAIGVIYTDSDGNSHQAFVRGNGEVIVSAGTIGTPQLLLLSGVGPESYLSSLNITVVQPNPYVGQFVYDNPRNFINILPPNPIEASVVTVLGIRSDYYQVSASVLPFSTPLFSLFPTTSYPLPNSTFAHIVSQVPGPLSHGSVTLNSSSDVRIAPNIKFNYYSNSTDLANCVSGMKKLGDLLRTKALEPYKARDVLGIDGFNYLGVPLPENQTDDASFETFCLDNVASYWHYHGGSLVGKVLDDSFRVMGIKALRVVDASTFPYEPNSHPQGFYLMLGRYVGLQILQERSIRLEAIHNIQESM

posex_set/posex_cross_docking_set/8JM5_FQ6/8JM5_FQ6_protein.pdb

posex_set/posex_cross_docking_set/8JM5_FQ6/8JM5_FQ6_ligand_start_conf.sdf

7RXO_88O

O=C(O)c1cc([N+](=O)[O-])ccc1NCCc1c[nH]c2cc(Cl)ccc12

MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL

posex_set/posex_cross_docking_set/7RXO_88O/7RXO_88O_protein.pdb

posex_set/posex_cross_docking_set/7RXO_88O/7RXO_88O_ligand_start_conf.sdf

7BC9_SWT

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

ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH

posex_set/posex_cross_docking_set/7BC9_SWT/7BC9_SWT_protein.pdb

posex_set/posex_cross_docking_set/7BC9_SWT/7BC9_SWT_ligand_start_conf.sdf

7NEO_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/7NEO_X77/7NEO_X77_protein.pdb

posex_set/posex_cross_docking_set/7NEO_X77/7NEO_X77_ligand_start_conf.sdf

7Q5O_P4M

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

ALSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMP

posex_set/posex_cross_docking_set/7Q5O_P4M/7Q5O_P4M_protein.pdb

posex_set/posex_cross_docking_set/7Q5O_P4M/7Q5O_P4M_ligand_start_conf.sdf

8QKA_VTF

Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccccc4N(C)S(C)(=O)=O)cc3)CC2)n1

MATLFIADLHLQTEEPEITAGFLRFLQGEARQADALYILGDLFEAWIGDDDPNPLHQQIASAIKAVVDAGVPCYFIHGNRDFLVGQRFARQSGMILLAEEERLDLYGREVLIMHGDTLCTDDQGYLAFRAKVHTPWIQRLFLALPLFIRHRIAARMRADSKAANSSKSMEIMDVNPQAVVDAMERHHVQWLIHGHTHRPAVHELQANGQPAWRVVLGAWHSEGSMVKVTPDDVELIHFPFHHHHHH

posex_set/posex_cross_docking_set/8QKA_VTF/8QKA_VTF_protein.pdb

posex_set/posex_cross_docking_set/8QKA_VTF/8QKA_VTF_ligand_start_conf.sdf

7LE2_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/7LE2_A61/7LE2_A61_protein.pdb

posex_set/posex_cross_docking_set/7LE2_A61/7LE2_A61_ligand_start_conf.sdf

7LE0_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/7LE0_K2E/7LE0_K2E_protein.pdb

posex_set/posex_cross_docking_set/7LE0_K2E/7LE0_K2E_ligand_start_conf.sdf

7FDT_OCA

CCCCCCCC(=O)O

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA

posex_set/posex_cross_docking_set/7FDT_OCA/7FDT_OCA_protein.pdb

posex_set/posex_cross_docking_set/7FDT_OCA/7FDT_OCA_ligand_start_conf.sdf

5SB2_1IM

O=C(Cc1cccc(C#Cc2cccnc2)c1)Nc1cccc(C(F)(F)F)c1

PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH

posex_set/posex_cross_docking_set/5SB2_1IM/5SB2_1IM_protein.pdb

posex_set/posex_cross_docking_set/5SB2_1IM/5SB2_1IM_ligand_start_conf.sdf

5SIS_JQL

C[C@@H]1CCCN1C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1

GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED

posex_set/posex_cross_docking_set/5SIS_JQL/5SIS_JQL_protein.pdb

posex_set/posex_cross_docking_set/5SIS_JQL/5SIS_JQL_ligand_start_conf.sdf

7PHZ_SQ5

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

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_cross_docking_set/7PHZ_SQ5/7PHZ_SQ5_protein.pdb

posex_set/posex_cross_docking_set/7PHZ_SQ5/7PHZ_SQ5_ligand_start_conf.sdf

7B4X_T9Q

COCC(=O)NCc1ccccc1

ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH

posex_set/posex_cross_docking_set/7B4X_T9Q/7B4X_T9Q_protein.pdb

posex_set/posex_cross_docking_set/7B4X_T9Q/7B4X_T9Q_ligand_start_conf.sdf

7Q7I_9I5

COc1cc(-c2ccc(O)cc2)cc2cnc(N)nc12

MHHHHHHDYKDDDDKENLYFQGRDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQSIVTHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG

posex_set/posex_cross_docking_set/7Q7I_9I5/7Q7I_9I5_protein.pdb

posex_set/posex_cross_docking_set/7Q7I_9I5/7Q7I_9I5_ligand_start_conf.sdf

8H7N_WZ0

CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1

EVQLVESGGGLVQPGGSLRLSCVGSGRVRTINTAGWYRQAPGQEPEFLARITVGGTTSYADSVKGRFTISRDLAKSTVYLQMDYLKPEDTAVYYCNADFDFGSRTAWGQGTQVTVSSGQAGQHHHHHHGAYPYDVPDYAS

posex_set/posex_cross_docking_set/8H7N_WZ0/8H7N_WZ0_protein.pdb

posex_set/posex_cross_docking_set/8H7N_WZ0/8H7N_WZ0_ligand_start_conf.sdf

7FW7_KL3

O=C(O)[C@H]1CCCc2ccc(-c3ccc(Cl)cc3)cc21

GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA

posex_set/posex_cross_docking_set/7FW7_KL3/7FW7_KL3_protein.pdb

posex_set/posex_cross_docking_set/7FW7_KL3/7FW7_KL3_ligand_start_conf.sdf

5SFE_IZ6

O=C1CCN(c2ccccc2)N=C1c1ccnn1-c1ccccc1

GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED

posex_set/posex_cross_docking_set/5SFE_IZ6/5SFE_IZ6_protein.pdb

posex_set/posex_cross_docking_set/5SFE_IZ6/5SFE_IZ6_ligand_start_conf.sdf

7HG7_TU6

Cc1cc(N2CCCCC2)nc(CO)n1

GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS

posex_set/posex_cross_docking_set/7HG7_TU6/7HG7_TU6_protein.pdb

posex_set/posex_cross_docking_set/7HG7_TU6/7HG7_TU6_ligand_start_conf.sdf

7S90_94M

COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C

HMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE

posex_set/posex_cross_docking_set/7S90_94M/7S90_94M_protein.pdb

posex_set/posex_cross_docking_set/7S90_94M/7S90_94M_ligand_start_conf.sdf

7NGX_UBN

CCCCCCCCNC(=O)N1CCC(C)CC1

MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR

posex_set/posex_cross_docking_set/7NGX_UBN/7NGX_UBN_protein.pdb

posex_set/posex_cross_docking_set/7NGX_UBN/7NGX_UBN_ligand_start_conf.sdf

8CCM_U8O

Nc1nsc2ncccc12

MAHHHHHHMSTSQTVHDVIIIGSGPAGYTAAIYAARAQLKPLVFEGTQFGGALMTTTEVENYPGFREGITGPELMDQMREQALRFGADLRMEDVDAVQLEGPVKTVVVGDETHQARAVILAMGAAARHLGVPGEEALTGMGVSTCATCDGFFFRDQDIVVVGGGDSAMEEATFLTRFARSVTLIHRRDEFRASKIMLERARANEKITFLTNTEITQIEGDPKVTGVRLRDTVTGEESKLDVTGVFVAIGHDPRSELVRGQVELDDEGYVKVQGRTTYTSLDGVFAAGDLVDHTYRQAITAAGSGCAASIDAERWLAEQD

posex_set/posex_cross_docking_set/8CCM_U8O/8CCM_U8O_protein.pdb

posex_set/posex_cross_docking_set/8CCM_U8O/8CCM_U8O_ligand_start_conf.sdf

8GEM_ZDK

COCC1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1

MPVDFTGYWKMLVNENFEEYLRALDVNVALRKIANLLKPDKEIVQDGDHMIIRTLSTFRNYIMDFQVGKEFEEDLTGIDDRKCMTTVSWDGDKLQCVQKGEKEGRGWTQWIEGDELHLEMRVEGVVCKQVFKKVQHHHHHH

posex_set/posex_cross_docking_set/8GEM_ZDK/8GEM_ZDK_protein.pdb

posex_set/posex_cross_docking_set/8GEM_ZDK/8GEM_ZDK_ligand_start_conf.sdf

7GCJ_LDX

Cc1ccncc1NC(=O)CCc1ccccc1F

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_cross_docking_set/7GCJ_LDX/7GCJ_LDX_protein.pdb

posex_set/posex_cross_docking_set/7GCJ_LDX/7GCJ_LDX_ligand_start_conf.sdf

8GEZ_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/8GEZ_UM9/8GEZ_UM9_protein.pdb

posex_set/posex_cross_docking_set/8GEZ_UM9/8GEZ_UM9_ligand_start_conf.sdf

7HG8_UWS

Cc1cc(Cn2nc(C)ccc2=O)on1

GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS

posex_set/posex_cross_docking_set/7HG8_UWS/7HG8_UWS_protein.pdb

posex_set/posex_cross_docking_set/7HG8_UWS/7HG8_UWS_ligand_start_conf.sdf

8V6Z_YI8

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

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN

posex_set/posex_cross_docking_set/8V6Z_YI8/8V6Z_YI8_protein.pdb

posex_set/posex_cross_docking_set/8V6Z_YI8/8V6Z_YI8_ligand_start_conf.sdf

7AN6_RDH

C=C(Oc1cccc(C(=O)O)c1)C(=O)O

MVDNSRTRPRVGHIQFLACLPLYWGLARTGTLLDFELTKDTPEKLSEQLVRGDLDIGPVTLVEFLKNADDLVAFPDIAVGCDGPVMSCVIVSQVPLDRLDGARVALGSTSRTSVRLAQLLLSERFGVQPDYYTCPPDLSLMMQEADAAVLIGDAALRANMIDGPRYGLDVHDLGALWKEWTGLPFVFAVWAARRDYAEREPVITRKVHEAFLASRNLSLEEVEKVAEQAARWEAFDEDTLAKYFTTLDFRFGAPQLEAVTEFARRVGPTTGFPADVKVELLKPLEHHHHHH

posex_set/posex_cross_docking_set/7AN6_RDH/7AN6_RDH_protein.pdb

posex_set/posex_cross_docking_set/7AN6_RDH/7AN6_RDH_ligand_start_conf.sdf

9FLR_A1IDD

Cn1cc(-c2ccn3ncc(-c4ccnc(CN)c4)c3n2)cn1

MHHHHHHSSGVDLGTENLYFQSMGECSQKGPVPFSHCLPTEKLQRCEKIGEGVFGEVFQTIADHTPVAIKIIAIEGPDLVNGSHQKTFEEILPEIIISKELSLLSGEVCNRTEGFIGLNSVHCVQGSYPPLLLKAWDHYNSTKGSANDRPDFFKDDQLFIVLEFEFGGIDLEQMRTKLSSLATAKSILHQLTASLAVAEASLRFEHRDLHWGNVLLKKTSLKKLHYTLNGKSSTIPSCGLQVSIIDYTLSRLERDGIVVFCDVSMDEDLFTGDGDYQFDIYRLMKKENNNRWGEYHPYSNVLWLHYLTDKMLKQMTFKTKCNTPAMKQIKRKIQEFHRTMLNFSSATDLLCQHSLFK

posex_set/posex_cross_docking_set/9FLR_A1IDD/9FLR_A1IDD_protein.pdb

posex_set/posex_cross_docking_set/9FLR_A1IDD/9FLR_A1IDD_ligand_start_conf.sdf

8RDT_7SE

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

AMPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD

posex_set/posex_cross_docking_set/8RDT_7SE/8RDT_7SE_protein.pdb

posex_set/posex_cross_docking_set/8RDT_7SE/8RDT_7SE_ligand_start_conf.sdf

7V3R_A1ATS

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

MGSSHHHHHHGDSDISSPLLQNTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARDMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIG

posex_set/posex_cross_docking_set/7V3R_A1ATS/7V3R_A1ATS_protein.pdb

posex_set/posex_cross_docking_set/7V3R_A1ATS/7V3R_A1ATS_ligand_start_conf.sdf