CataAI/PoseX · Datasets at Hugging Face

8IXS_A1LVC

CCOc1cccnc1Cc1ccc([C@H](F)C(=O)N[C@H](c2ccc(C)cc2)[C@@H](C)C(=O)O)cc1

LHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC

posex_set/posex_cross_docking_set/8IXS_A1LVC/8IXS_A1LVC_protein.pdb

posex_set/posex_cross_docking_set/8IXS_A1LVC/8IXS_A1LVC_ligand_start_conf.sdf

7FDU_2AN

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

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA

posex_set/posex_cross_docking_set/7FDU_2AN/7FDU_2AN_protein.pdb

posex_set/posex_cross_docking_set/7FDU_2AN/7FDU_2AN_ligand_start_conf.sdf

7NGY_U9W

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

MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR

posex_set/posex_cross_docking_set/7NGY_U9W/7NGY_U9W_protein.pdb

posex_set/posex_cross_docking_set/7NGY_U9W/7NGY_U9W_ligand_start_conf.sdf

5SKP_IK0

CNC(=O)c1cc(CCc2nc(N3CCCC3)nn2C)nn2c(C)c(C)nc12

GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED

posex_set/posex_cross_docking_set/5SKP_IK0/5SKP_IK0_protein.pdb

posex_set/posex_cross_docking_set/5SKP_IK0/5SKP_IK0_ligand_start_conf.sdf

8OYZ_W6T

Nc1ncc2ccccc2n1

GSHMVPISFVFNRFPRMVRDLAKKMNKEVNFIMRGEDTELDRTFVEEIGEPLLHLLRNAIDHGIEPKEERIAKGKPPIGTLILSARHEGNNVVIEVEDDGRGIDKEKIIRKAIEKGLIDESKAATLSDQEILNFLFVPGFSTKEKVSEVSGRGVGMDVVKNVVESLNGSISIESEKDKGTKVTIRLPLT

posex_set/posex_cross_docking_set/8OYZ_W6T/8OYZ_W6T_protein.pdb

posex_set/posex_cross_docking_set/8OYZ_W6T/8OYZ_W6T_ligand_start_conf.sdf

7S4T_7TW

O=C(O)c1cc([N+](=O)[O-])ccc1NCCc1c[nH]c2ccccc12

MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL

posex_set/posex_cross_docking_set/7S4T_7TW/7S4T_7TW_protein.pdb

posex_set/posex_cross_docking_set/7S4T_7TW/7S4T_7TW_ligand_start_conf.sdf

7FVX_GFS

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

GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA

posex_set/posex_cross_docking_set/7FVX_GFS/7FVX_GFS_protein.pdb

posex_set/posex_cross_docking_set/7FVX_GFS/7FVX_GFS_ligand_start_conf.sdf

7Q6U_95O

Cc1nnc2c(N)cc(C(=O)N3[C@H]4Cc5ccccc5[C@@H]3CNC4=O)cn12

SMQEEDTFRELRIFLRNVTHRLAIDKRFRVFTKPVDPDEVPDYVTVIKQPMDLSSVISKIDLHKYLTVKDYLRDIDLICSNALEYNPDRDPGDRLIRHRACALRDTAYAIIKEELDEDFEQLCEEIQESR

posex_set/posex_cross_docking_set/7Q6U_95O/7Q6U_95O_protein.pdb

posex_set/posex_cross_docking_set/7Q6U_95O/7Q6U_95O_ligand_start_conf.sdf

7NEO_S1U

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

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_cross_docking_set/7NEO_S1U/7NEO_S1U_protein.pdb

posex_set/posex_cross_docking_set/7NEO_S1U/7NEO_S1U_ligand_start_conf.sdf

7EGO_OCA

CCCCCCCC(=O)O

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA

posex_set/posex_cross_docking_set/7EGO_OCA/7EGO_OCA_protein.pdb

posex_set/posex_cross_docking_set/7EGO_OCA/7EGO_OCA_ligand_start_conf.sdf

7FW1_KL3

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

GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA

posex_set/posex_cross_docking_set/7FW1_KL3/7FW1_KL3_protein.pdb

posex_set/posex_cross_docking_set/7FW1_KL3/7FW1_KL3_ligand_start_conf.sdf

8SBT_OJ3

C[C@](O)(CCCc1ccccc1)c1cc(C(=O)N2Cc3ccc(F)cc3C2)ccc1O

MGSSHHHHHHSSGLVPRGSHMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE

posex_set/posex_cross_docking_set/8SBT_OJ3/8SBT_OJ3_protein.pdb

posex_set/posex_cross_docking_set/8SBT_OJ3/8SBT_OJ3_ligand_start_conf.sdf

7NGM_UAZ

COc1ccc(NC(=O)N2CCC(C)CC2)cc1

MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR

posex_set/posex_cross_docking_set/7NGM_UAZ/7NGM_UAZ_protein.pdb

posex_set/posex_cross_docking_set/7NGM_UAZ/7NGM_UAZ_ligand_start_conf.sdf

7A4Q_QXZ

COc1cc(Nc2ncc3c(C)nc(-c4cc5ccccc5[nH]4)n3n2)cc(OC)c1OC

GPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK

posex_set/posex_cross_docking_set/7A4Q_QXZ/7A4Q_QXZ_protein.pdb

posex_set/posex_cross_docking_set/7A4Q_QXZ/7A4Q_QXZ_ligand_start_conf.sdf

7FDU_J3R

CN(CCC(=O)O)c1ccc([N+](=O)[O-])c2nonc12

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA

posex_set/posex_cross_docking_set/7FDU_J3R/7FDU_J3R_protein.pdb

posex_set/posex_cross_docking_set/7FDU_J3R/7FDU_J3R_ligand_start_conf.sdf

7PHZ_R7F

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

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_cross_docking_set/7PHZ_R7F/7PHZ_R7F_protein.pdb

posex_set/posex_cross_docking_set/7PHZ_R7F/7PHZ_R7F_ligand_start_conf.sdf

7FVU_IQH

O=C(O)c1csc(CCc2cccc(Cl)c2)n1

GSHMDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA

posex_set/posex_cross_docking_set/7FVU_IQH/7FVU_IQH_protein.pdb

posex_set/posex_cross_docking_set/7FVU_IQH/7FVU_IQH_ligand_start_conf.sdf

7GC0_L7F

Cc1ccncc1NC(=O)C[C@@]12CCC[C@@H]1C2

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_cross_docking_set/7GC0_L7F/7GC0_L7F_protein.pdb

posex_set/posex_cross_docking_set/7GC0_L7F/7GC0_L7F_ligand_start_conf.sdf

7RWF_8FI

O=C(O)c1cc(C(F)(F)F)ccc1NCCc1[nH]nc2ccccc12

FMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL

posex_set/posex_cross_docking_set/7RWF_8FI/7RWF_8FI_protein.pdb

posex_set/posex_cross_docking_set/7RWF_8FI/7RWF_8FI_ligand_start_conf.sdf

7SI5_9JL

Cc1cc(CN(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12

DAVSIESGTNTERPDTPTNTPNAPGRKSWGKGKWKSKKCKYSFKCVNSLKEDHNQPLFGVQFNWHSKEGDPLVFATVGSNRVTLYECHSQGEIRLLQSYVDADADENFYTCAWTYDSNTSHPLLAVAGSRGIIRIINPITMQCIKHYVGHGNAINELKFHPRDPNLLLSVSKDHALRLWNIQTDTLVAIFGGVEGHRDEVLSADYDLLGEKIMSCGMDHSLKLWRINSKRMMNAIKESYDYNPNKTNRPFISQKIHFPDFSTRDIHRNYVDCVRWLGDLILSKSCENAIVCWKPGKMEDDIDKIKPSESNVTILGRFDYSQCDIWYMRFSMDFWQKMLALGNQVGKLYVWDLEVEDPHKAKCTTLTHHKCGAAIRQTSFSRDSSILIAVCDDASIWRWDRLR

posex_set/posex_cross_docking_set/7SI5_9JL/7SI5_9JL_protein.pdb

posex_set/posex_cross_docking_set/7SI5_9JL/7SI5_9JL_ligand_start_conf.sdf

8BOI_QJI

O=C(Nc1ccccc1Cl)c1cnc2ccc(C3CCNCC3)cn12

GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG

posex_set/posex_cross_docking_set/8BOI_QJI/8BOI_QJI_protein.pdb

posex_set/posex_cross_docking_set/8BOI_QJI/8BOI_QJI_ligand_start_conf.sdf

7B98_T3N

CC(=O)Nc1ccc(OCC(=O)O)cc1

ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH

posex_set/posex_cross_docking_set/7B98_T3N/7B98_T3N_protein.pdb

posex_set/posex_cross_docking_set/7B98_T3N/7B98_T3N_ligand_start_conf.sdf

7GCJ_L4N

Cc1ccncc1NC(=O)[C@@H]1CCC2(CC2)C1

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_cross_docking_set/7GCJ_L4N/7GCJ_L4N_protein.pdb

posex_set/posex_cross_docking_set/7GCJ_L4N/7GCJ_L4N_ligand_start_conf.sdf

7FVZ_GFS

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

GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA

posex_set/posex_cross_docking_set/7FVZ_GFS/7FVZ_GFS_protein.pdb

posex_set/posex_cross_docking_set/7FVZ_GFS/7FVZ_GFS_ligand_start_conf.sdf

8QTK_A1IEW

C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3nn(-c4cccc([C@]5(c6nncn6C)C[C@@H](C)C5)c4)c(=O)n3c2)C1

HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD

posex_set/posex_cross_docking_set/8QTK_A1IEW/8QTK_A1IEW_protein.pdb

posex_set/posex_cross_docking_set/8QTK_A1IEW/8QTK_A1IEW_ligand_start_conf.sdf

8IVR_A1LVC

CCOc1cccnc1Cc1ccc([C@H](F)C(=O)N[C@H](c2ccc(C)cc2)[C@@H](C)C(=O)O)cc1

LHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC

posex_set/posex_cross_docking_set/8IVR_A1LVC/8IVR_A1LVC_protein.pdb

posex_set/posex_cross_docking_set/8IVR_A1LVC/8IVR_A1LVC_ligand_start_conf.sdf

7S7A_80E

COC(=O)c1ccc(NCCc2c[nH]c3ccccc23)c(C(=O)O)c1

MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL

posex_set/posex_cross_docking_set/7S7A_80E/7S7A_80E_protein.pdb

posex_set/posex_cross_docking_set/7S7A_80E/7S7A_80E_ligand_start_conf.sdf

8V74_YIG

c1ccc(Oc2ccc(-c3onc4ccc(-c5nnn[nH]5)cc34)cc2)cc1

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN

posex_set/posex_cross_docking_set/8V74_YIG/8V74_YIG_protein.pdb

posex_set/posex_cross_docking_set/8V74_YIG/8V74_YIG_ligand_start_conf.sdf

8V72_YHW

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

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN

posex_set/posex_cross_docking_set/8V72_YHW/8V72_YHW_protein.pdb

posex_set/posex_cross_docking_set/8V72_YHW/8V72_YHW_ligand_start_conf.sdf

8I6B_ORO

O=C(O)c1cc(=O)[nH]c(=O)[nH]1

MHHHHHHGMASMTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP

posex_set/posex_cross_docking_set/8I6B_ORO/8I6B_ORO_protein.pdb

posex_set/posex_cross_docking_set/8I6B_ORO/8I6B_ORO_ligand_start_conf.sdf

7S85_7TW

O=C(O)c1cc([N+](=O)[O-])ccc1NCCc1c[nH]c2ccccc12

MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL

posex_set/posex_cross_docking_set/7S85_7TW/7S85_7TW_protein.pdb

posex_set/posex_cross_docking_set/7S85_7TW/7S85_7TW_ligand_start_conf.sdf

7FDT_J3R

CN(CCC(=O)O)c1ccc([N+](=O)[O-])c2nonc12

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA

posex_set/posex_cross_docking_set/7FDT_J3R/7FDT_J3R_protein.pdb

posex_set/posex_cross_docking_set/7FDT_J3R/7FDT_J3R_ligand_start_conf.sdf

7XJM_NSD

NCCCNCCCN

AMAKDQELYFYNWSEYIPSEVLEDFTKETGIKVIYSTYESNESMYAKLKTQGAGYDLVVPSTYFVSKMRKEGMLQEIDHSKLSHFKDLDPNYLNKPFDPGNKFSIPYIWGATGIGINTDMLDKKSLKNWGDLWDAKWAGQLMLMDDAREVFHIALSKLGYSPNTTNPKEIKAAYRELKKLMPNVLVFNSDFPANPYLAGEVSLGMLWNGSAYMARQEGAPIQIIWPEKGTIFWMDSISIPAGAKNIEAAHKMIDFLLRPENAAKIALEIGYPTPVKTAHDLLPKEFANDPSIYPPQSVIDNGEWQDEVGEASVLYDEYFQKLKVND

posex_set/posex_cross_docking_set/7XJM_NSD/7XJM_NSD_protein.pdb

posex_set/posex_cross_docking_set/7XJM_NSD/7XJM_NSD_ligand_start_conf.sdf

7FU3_YUB

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

GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF

posex_set/posex_cross_docking_set/7FU3_YUB/7FU3_YUB_protein.pdb

posex_set/posex_cross_docking_set/7FU3_YUB/7FU3_YUB_ligand_start_conf.sdf

8ZU2_A1D83

Cc1ccc(O)c(C)c1-c1cc(-c2ccncc2)cc(C(N)=O)c1N

HQLQPRRVSFRGEASETLQSPGYDPSRPESFFQQSFQRLSRLGHGSYGEVFKVRSKEDGRLYAVKRSMSPFRGPKDRARKLAEVGSHEKVGQHPCCVRLEQAWEEGGILYLQTELCGPSLQQHCEAWGASLPEAQVWGYLRDTLLALAHLHSQGLVHLDVKPANIFLGPRGRCKLGDFGLLVELGTAGAGEVQEGDPRYMAPELLQGSYGTAADVFSLGLTILEVACNMELPHGGEGWQQLRQGYLPPEFTAGLSSELRSVLVMMLEPDPKLRATAEALLALPVLRQ

posex_set/posex_cross_docking_set/8ZU2_A1D83/8ZU2_A1D83_protein.pdb

posex_set/posex_cross_docking_set/8ZU2_A1D83/8ZU2_A1D83_ligand_start_conf.sdf

8BM2_S4R

N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1

MGHHHHHHSSGVDLGTENLYFQSMDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG

posex_set/posex_cross_docking_set/8BM2_S4R/8BM2_S4R_protein.pdb

posex_set/posex_cross_docking_set/8BM2_S4R/8BM2_S4R_ligand_start_conf.sdf

8V73_YHN

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

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN

posex_set/posex_cross_docking_set/8V73_YHN/8V73_YHN_protein.pdb

posex_set/posex_cross_docking_set/8V73_YHN/8V73_YHN_ligand_start_conf.sdf

7HGE_UWS

Cc1cc(Cn2nc(C)ccc2=O)on1

GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS

posex_set/posex_cross_docking_set/7HGE_UWS/7HGE_UWS_protein.pdb

posex_set/posex_cross_docking_set/7HGE_UWS/7HGE_UWS_ligand_start_conf.sdf

7FW3_K7C

COCC1(c2nc(C3CCCC3)c(C)c(-c3ccc(F)cc3)c2-c2nnn[nH]2)CCCC1

GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA

posex_set/posex_cross_docking_set/7FW3_K7C/7FW3_K7C_protein.pdb

posex_set/posex_cross_docking_set/7FW3_K7C/7FW3_K7C_ligand_start_conf.sdf

7HG3_UWS

Cc1cc(Cn2nc(C)ccc2=O)on1

GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS

posex_set/posex_cross_docking_set/7HG3_UWS/7HG3_UWS_protein.pdb

posex_set/posex_cross_docking_set/7HG3_UWS/7HG3_UWS_ligand_start_conf.sdf

7LDZ_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/7LDZ_K2E/7LDZ_K2E_protein.pdb

posex_set/posex_cross_docking_set/7LDZ_K2E/7LDZ_K2E_ligand_start_conf.sdf

7FTI_YMO

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

GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF

posex_set/posex_cross_docking_set/7FTI_YMO/7FTI_YMO_protein.pdb

posex_set/posex_cross_docking_set/7FTI_YMO/7FTI_YMO_ligand_start_conf.sdf

7YZU_A1H5E

CCCCCCCCO[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/7YZU_A1H5E/7YZU_A1H5E_protein.pdb

posex_set/posex_cross_docking_set/7YZU_A1H5E/7YZU_A1H5E_ligand_start_conf.sdf

7FVU_KWX

O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@H]1C(=O)O

GSHMDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA

posex_set/posex_cross_docking_set/7FVU_KWX/7FVU_KWX_protein.pdb

posex_set/posex_cross_docking_set/7FVU_KWX/7FVU_KWX_ligand_start_conf.sdf

7FU0_YQ3

Cc1ccc(-c2cc(C(=O)O)c3c(c2)ncn3Cc2ccncc2)c(Cl)c1

GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF

posex_set/posex_cross_docking_set/7FU0_YQ3/7FU0_YQ3_protein.pdb

posex_set/posex_cross_docking_set/7FU0_YQ3/7FU0_YQ3_ligand_start_conf.sdf

8BOC_QTX

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

GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG

posex_set/posex_cross_docking_set/8BOC_QTX/8BOC_QTX_protein.pdb

posex_set/posex_cross_docking_set/8BOC_QTX/8BOC_QTX_ligand_start_conf.sdf

7HG7_X0S

CNS(=O)(=O)c1ccccc1Cl

GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS

posex_set/posex_cross_docking_set/7HG7_X0S/7HG7_X0S_protein.pdb

posex_set/posex_cross_docking_set/7HG7_X0S/7HG7_X0S_ligand_start_conf.sdf

8BIN_QU6

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

GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG

posex_set/posex_cross_docking_set/8BIN_QU6/8BIN_QU6_protein.pdb

posex_set/posex_cross_docking_set/8BIN_QU6/8BIN_QU6_ligand_start_conf.sdf

8GEM_ZE2

COc1ccc(S(=O)(=O)N2CCC(O)(CO)CC2)c2c1CCCC2

MPVDFTGYWKMLVNENFEEYLRALDVNVALRKIANLLKPDKEIVQDGDHMIIRTLSTFRNYIMDFQVGKEFEEDLTGIDDRKCMTTVSWDGDKLQCVQKGEKEGRGWTQWIEGDELHLEMRVEGVVCKQVFKKVQHHHHHH

posex_set/posex_cross_docking_set/8GEM_ZE2/8GEM_ZE2_protein.pdb

posex_set/posex_cross_docking_set/8GEM_ZE2/8GEM_ZE2_ligand_start_conf.sdf

7FVY_K7C

COCC1(c2nc(C3CCCC3)c(C)c(-c3ccc(F)cc3)c2-c2nnn[nH]2)CCCC1

GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA

posex_set/posex_cross_docking_set/7FVY_K7C/7FVY_K7C_protein.pdb

posex_set/posex_cross_docking_set/7FVY_K7C/7FVY_K7C_ligand_start_conf.sdf

7M9G_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

PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNVIGRNLLTQIGCTLNF

posex_set/posex_cross_docking_set/7M9G_K20/7M9G_K20_protein.pdb

posex_set/posex_cross_docking_set/7M9G_K20/7M9G_K20_ligand_start_conf.sdf

7HGE_TU6

Cc1cc(N2CCCCC2)nc(CO)n1

GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS

posex_set/posex_cross_docking_set/7HGE_TU6/7HGE_TU6_protein.pdb

posex_set/posex_cross_docking_set/7HGE_TU6/7HGE_TU6_ligand_start_conf.sdf

8H7R_WYW

CCOP(=S)(OCC)Oc1ncn(-c2ccccc2)n1

EVQLVESGGGLVQPGGSLRLSCVGSGRVRTINTAGWYRQAPGQEPEFLARITVGGTTSYADSVKGRFTISRDLAKSTVYLQMDYLKPEDTAVYYCNADFDFGSRTAWGQGTQVTVSSGQAGQHHHHHHGAYPYDVPDYAS

posex_set/posex_cross_docking_set/8H7R_WYW/8H7R_WYW_protein.pdb

posex_set/posex_cross_docking_set/8H7R_WYW/8H7R_WYW_ligand_start_conf.sdf

8V6Z_YJQ

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

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN

posex_set/posex_cross_docking_set/8V6Z_YJQ/8V6Z_YJQ_protein.pdb

posex_set/posex_cross_docking_set/8V6Z_YJQ/8V6Z_YJQ_ligand_start_conf.sdf

8BAJ_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

GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNSKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE

posex_set/posex_cross_docking_set/8BAJ_A1H70/8BAJ_A1H70_protein.pdb

posex_set/posex_cross_docking_set/8BAJ_A1H70/8BAJ_A1H70_ligand_start_conf.sdf

5SFB_KI8

COc1ccccc1N1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1

GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED

posex_set/posex_cross_docking_set/5SFB_KI8/5SFB_KI8_protein.pdb

posex_set/posex_cross_docking_set/5SFB_KI8/5SFB_KI8_ligand_start_conf.sdf

8IVT_RXF

CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1

METDNVELAQSKRKVVLAEQGSFYIGGRTVTGPGKFDPSKPVIPYSNEGATFYINQMYVNFQAPVRPRGLPLVFWHGGGLTGHIWESTPDGRPGFQTLFVQDRHTVYTIDQPGRGRGNIPTFNGPFGQLEEESIVNTVTGNSSKEGAWVRDRLGPAPGQFFENSQFPRGYEDNYFKEMGFSPSISSDEIVDAVVKLVTHIGPCVLVTHAASGVLGMRVATHAKNVRGIVAYEPATSIFPKGKVPEIPPLADKKSQIFPPFEIQESYFKKLAKIPIQFVFGDNIPKNPKSAYWFLDWWRVTRYAHSLSLEAINKLGGQASLLDLPTAGLRGNTAFPFTDRNNVQVASLLSDFLGKHGLDQNESLEHHHHHH

posex_set/posex_cross_docking_set/8IVT_RXF/8IVT_RXF_protein.pdb

posex_set/posex_cross_docking_set/8IVT_RXF/8IVT_RXF_ligand_start_conf.sdf

7VRQ_QJ1

COC(=O)N1CCS[C@H](c2cccs2)CC1

GSHMQDPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYEYNPPDHDVVAMARKLQDVFEFRYAKMPD

posex_set/posex_cross_docking_set/7VRQ_QJ1/7VRQ_QJ1_protein.pdb

posex_set/posex_cross_docking_set/7VRQ_QJ1/7VRQ_QJ1_ligand_start_conf.sdf

7V15_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/7V15_ORF/7V15_ORF_protein.pdb

posex_set/posex_cross_docking_set/7V15_ORF/7V15_ORF_ligand_start_conf.sdf

9F94_A1IAV

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

MGSSHHHHHHSSGLVPRGSHMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL

posex_set/posex_cross_docking_set/9F94_A1IAV/9F94_A1IAV_protein.pdb

posex_set/posex_cross_docking_set/9F94_A1IAV/9F94_A1IAV_ligand_start_conf.sdf

8WTQ_KV3

COc1ccccc1[C@H]1OCCN([C@@H]2CCC[C@H](C(=O)O)C2)C(=O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21

MDQDSLSSSLKTCYKYLNQTSRSFAAVIQALDGEMRNAVCIFYLVLRALDTLEDDMTISVEKKVPLLHNFHSFLYQPDWRFMESKEKDRQVLEDFPTISLEFRNLAEKYQTVIADICRRMGIGMAEFLDKHVTSEQEWDKYCHYVAGLVGIGLSRLFSASEFEDPLVGEDTERANSMGLFLQKTNIIRDYLEDQQGGREFWPQEVWSRYVKKLGDFAKPENIDLAVQCLNELITNALHHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNQQVFKGAVKIRKGQAVTLMMDATNMPAVKAIIYQYMEEIYHRIPDSDPSSSKTRQIISTIRTQN

posex_set/posex_cross_docking_set/8WTQ_KV3/8WTQ_KV3_protein.pdb

posex_set/posex_cross_docking_set/8WTQ_KV3/8WTQ_KV3_ligand_start_conf.sdf

7USG_82V

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

GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD

posex_set/posex_cross_docking_set/7USG_82V/7USG_82V_protein.pdb

posex_set/posex_cross_docking_set/7USG_82V/7USG_82V_ligand_start_conf.sdf

7V12_OSX

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

IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV

posex_set/posex_cross_docking_set/7V12_OSX/7V12_OSX_protein.pdb

posex_set/posex_cross_docking_set/7V12_OSX/7V12_OSX_ligand_start_conf.sdf

7GLA_R4X

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

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_cross_docking_set/7GLA_R4X/7GLA_R4X_protein.pdb

posex_set/posex_cross_docking_set/7GLA_R4X/7GLA_R4X_ligand_start_conf.sdf

8A3A_KOX

O=C1N=CCC(SCc2ccccc2Cl)=N1

GSHMGASRLYTLVLVLQPQRVLLGMKKRGFGAGRWNGFGGKVQEGETIEDGARRELQEESGLTVDALHKVGQIVFEFVGEPELMDVHVFCTDSIQGTPVESDEMRPCWFQLDQIPFKDMWPDDSYWFPLLLQKKKFHGYFKFQGQDTILDYTLREVDTV

posex_set/posex_cross_docking_set/8A3A_KOX/8A3A_KOX_protein.pdb

posex_set/posex_cross_docking_set/8A3A_KOX/8A3A_KOX_ligand_start_conf.sdf

8BIN_QUF

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

GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG

posex_set/posex_cross_docking_set/8BIN_QUF/8BIN_QUF_protein.pdb

posex_set/posex_cross_docking_set/8BIN_QUF/8BIN_QUF_ligand_start_conf.sdf

7GZX_A1ALR

CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3)cc12)c1ccc2c(c1)S(=O)(=O)NCC2

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

posex_set/posex_cross_docking_set/7GZX_A1ALR/7GZX_A1ALR_protein.pdb

posex_set/posex_cross_docking_set/7GZX_A1ALR/7GZX_A1ALR_ligand_start_conf.sdf

7M9G_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

PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNVIGRNLLTQIGCTLNF

posex_set/posex_cross_docking_set/7M9G_XUY/7M9G_XUY_protein.pdb

posex_set/posex_cross_docking_set/7M9G_XUY/7M9G_XUY_ligand_start_conf.sdf

7FDT_6NA

CCCCCC(=O)O

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA

posex_set/posex_cross_docking_set/7FDT_6NA/7FDT_6NA_protein.pdb

posex_set/posex_cross_docking_set/7FDT_6NA/7FDT_6NA_ligand_start_conf.sdf

7V16_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/7V16_OQO/7V16_OQO_protein.pdb

posex_set/posex_cross_docking_set/7V16_OQO/7V16_OQO_ligand_start_conf.sdf

7S4T_80E

COC(=O)c1ccc(NCCc2c[nH]c3ccccc23)c(C(=O)O)c1

MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL

posex_set/posex_cross_docking_set/7S4T_80E/7S4T_80E_protein.pdb

posex_set/posex_cross_docking_set/7S4T_80E/7S4T_80E_ligand_start_conf.sdf

7FBF_X90

CCCCCCCCCCCCCCCCC(=O)O

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA

posex_set/posex_cross_docking_set/7FBF_X90/7FBF_X90_protein.pdb

posex_set/posex_cross_docking_set/7FBF_X90/7FBF_X90_ligand_start_conf.sdf

8CHN_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/8CHN_A1H70/8CHN_A1H70_protein.pdb

posex_set/posex_cross_docking_set/8CHN_A1H70/8CHN_A1H70_ligand_start_conf.sdf

8RX7_OVO

Nc1nc(-c2ccc(Cc3ccccc3)cc2)co1

GPGPEIVDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNLRSLVLDTKDLTIEKVVINGQEVKYALGERQSYKGSPMEISLPIALSKNQEIVIEISFETSPKSSALQWLTPEQTSGKEHPYLFSQCQAIHCRAILPCQDTPSVKLTYTAEVSVPKELVALMSAIRDGETPDPEDPSRKIYKFIQKVPIPCYLIALVVGALESRQIGPRTLVWSEKEQVEKSAYEFSETESMLKIAEDLGGPYVWGQYDLLVLPPSFPYGGMENPCLTFVTPTLLAGDKSLSNVIAHEISHSWTGNLVTNKTWDHFWLNEGHTVYLERHICGRLFGEKFRHFNALGGWGELQNSVKTFGETHPFTKLVVDLTDIDPDVAYSSVPYEKGFALLFYLEQLLGGPEIFLGFLKAYVEKFSYKSITTDDWKDFLYSYFKDKVDVLNQVDWNAWLYSPGLPPIKPNYDMTLTNACIALSQRWITAKEDDLNSFNATDLKDLSSHQLNEFLAQTLQRAPLPLGHIKRMQEVYNFNAINNSEIRFRWLRLCIQSKWEDAIPLALKMATEQGRMKFTRPLFKDLAAFDKSHDQAVRTYQEHKASMHPVTAMLVGKDLKVD

posex_set/posex_cross_docking_set/8RX7_OVO/8RX7_OVO_protein.pdb

posex_set/posex_cross_docking_set/8RX7_OVO/8RX7_OVO_ligand_start_conf.sdf

7NGM_U9W

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

MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR

posex_set/posex_cross_docking_set/7NGM_U9W/7NGM_U9W_protein.pdb

posex_set/posex_cross_docking_set/7NGM_U9W/7NGM_U9W_ligand_start_conf.sdf

8GF0_ZHR

CC(=O)N[C@H]1[C@H](OCCc2ccc3occc3c2)O[C@H](CO)[C@@H](O)[C@@H]1O

MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS

posex_set/posex_cross_docking_set/8GF0_ZHR/8GF0_ZHR_protein.pdb

posex_set/posex_cross_docking_set/8GF0_ZHR/8GF0_ZHR_ligand_start_conf.sdf

7HGE_EJQ

O=C(CN1CCCC1)Nc1ccc(F)cc1

GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS

posex_set/posex_cross_docking_set/7HGE_EJQ/7HGE_EJQ_protein.pdb

posex_set/posex_cross_docking_set/7HGE_EJQ/7HGE_EJQ_ligand_start_conf.sdf

5SMG_WKA

CC(=O)Nc1cccc2nonc12

SMLFKDCSKVITGLHPTQAPTHLSVDTKFKTEGLCVDIPGIPKDMTYRRLISMMGFKMNYQVNGYPNMFITREEAIRHVRAWIGFDVEGCHATREAVGTNLPLQLGFSTGVNLVAVPTGYVDTPNNTDFSRVSAKPPPGDQFKHLIPLMYKGLPWNVVRIKIVQMLSDTLKNLSDRVVFVLWAHGFELTSMKYFVKIGPERTCCLCDRRATCFSTASDTYACWHHSIGFDYVYNPFMIDVQQWGFTGNLQSNHDLYCQVHGNAHVASCDAIMTRCLAVHECFVKRVDWTIEYPIIGDELKINAACRKVQHMVVKAALLADKFPVLHDIGNPKAIKCVPQADVEWKFYDAQPCSDKAYKIEELFYSYATHSDKFTDGVCLFWNCNVDRYPANSIVCRFDTRVLSNLNLPGCDGGSLYVNKHAFHTPAFDKSAFVNLKQLPFFYYSDSPCESHGKQVVSDIDYVPLKSATCITRCNLGGAVCRHHANEYRLYLDAYNMMISAGFSLWVYKQFDTYNLWNTFTRLQ

posex_set/posex_cross_docking_set/5SMG_WKA/5SMG_WKA_protein.pdb

posex_set/posex_cross_docking_set/5SMG_WKA/5SMG_WKA_ligand_start_conf.sdf

8V74_YI8

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

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN

posex_set/posex_cross_docking_set/8V74_YI8/8V74_YI8_protein.pdb

posex_set/posex_cross_docking_set/8V74_YI8/8V74_YI8_ligand_start_conf.sdf

8BOI_QUF

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

GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG

posex_set/posex_cross_docking_set/8BOI_QUF/8BOI_QUF_protein.pdb

posex_set/posex_cross_docking_set/8BOI_QUF/8BOI_QUF_ligand_start_conf.sdf

7GZX_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/7GZX_A1ALQ/7GZX_A1ALQ_protein.pdb

posex_set/posex_cross_docking_set/7GZX_A1ALQ/7GZX_A1ALQ_ligand_start_conf.sdf

8W8L_W1Q

Nc1ncnc2cc(-c3cccc(S(=O)(=O)NC(=O)[C@@H]4CCCN4)c3)cc(F)c12

MGHHHHHHMRTSQYLLSTLKETPADAVVISHQLLLRAGMIRRLASGLYTWLPMGLRVLRKVETIVREEMNAAGALEVLMPAVQPAELWQESGRWEQYGPELLRLKDRHEREFCVGPTHEEVITDLARNELNSYKQLPINFYQIQTKFRDEIRPRFGLMRGREFIMKDAYSFHLSQDSLQQTYDGMYQAYSKIFSRLGLDFRPVQADNGSIGGSGSHEFHVLANSGEDDIVFSDSSDYAANIEKAEAVPRESARGSATEDMRLVDTPNTKTIAALVDGFQLPIEKTIKTLVVHGAEEGTLVALIVRGDHELNEIKAANQPLVASPLVFASEAEIRAAIGAGPGSLGPVNLPIACIVDRSVALMSDFAAGANIEDKHYFGVNWERDLPLPEVADLRNVVEGDPSPDGKGTLVIKRGIEVGHIFQLGTKYSEAMKLSVLSEQGKPVNLIMGCYGIGVSRVVAAAIEQNHDERGILWPSALAPFQIALVPLKYETESVKQATDKLYAELTAAGFEVLLDDRDKKTSPGVKFADMELIGIPHRIVISDRGLSEGVLEYKGRRDSESQNLPIGELMSFITEKLSR

posex_set/posex_cross_docking_set/8W8L_W1Q/8W8L_W1Q_protein.pdb

posex_set/posex_cross_docking_set/8W8L_W1Q/8W8L_W1Q_ligand_start_conf.sdf

7GAW_S1U

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

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_cross_docking_set/7GAW_S1U/7GAW_S1U_protein.pdb

posex_set/posex_cross_docking_set/7GAW_S1U/7GAW_S1U_ligand_start_conf.sdf

7H02_A1ALR

CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3)cc12)c1ccc2c(c1)S(=O)(=O)NCC2

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

posex_set/posex_cross_docking_set/7H02_A1ALR/7H02_A1ALR_protein.pdb

posex_set/posex_cross_docking_set/7H02_A1ALR/7H02_A1ALR_ligand_start_conf.sdf

7VS1_QJ1

COC(=O)N1CCS[C@H](c2cccs2)CC1

GSHMQDPEQLKHCNGILKELLSSKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD

posex_set/posex_cross_docking_set/7VS1_QJ1/7VS1_QJ1_protein.pdb

posex_set/posex_cross_docking_set/7VS1_QJ1/7VS1_QJ1_ligand_start_conf.sdf

8SBT_N6M

CNc1ncnc2[nH]cnc12

MGSSHHHHHHSSGLVPRGSHMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE

posex_set/posex_cross_docking_set/8SBT_N6M/8SBT_N6M_protein.pdb

posex_set/posex_cross_docking_set/8SBT_N6M/8SBT_N6M_ligand_start_conf.sdf

8IVR_VCQ

O=C(O)[C@@](O)(c1ccccc1)C1CCCC1

LHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC

posex_set/posex_cross_docking_set/8IVR_VCQ/8IVR_VCQ_protein.pdb

posex_set/posex_cross_docking_set/8IVR_VCQ/8IVR_VCQ_ligand_start_conf.sdf

7LE2_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/7LE2_065/7LE2_065_protein.pdb

posex_set/posex_cross_docking_set/7LE2_065/7LE2_065_ligand_start_conf.sdf

8PQ9_9VV

CC(=O)N[C@@](C)(c1ccc(F)cc1)c1cnc(N2CCN(c3ncnn4cc(-c5cnn(C)c5)cc34)CC2)nc1

GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH

posex_set/posex_cross_docking_set/8PQ9_9VV/8PQ9_9VV_protein.pdb

posex_set/posex_cross_docking_set/8PQ9_9VV/8PQ9_9VV_ligand_start_conf.sdf

7S9G_ZUY

C#CCCCn1c(Sc2c(C)cc(C)cc2C)nc2c(N)ncnc21

HMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE

posex_set/posex_cross_docking_set/7S9G_ZUY/7S9G_ZUY_protein.pdb

posex_set/posex_cross_docking_set/7S9G_ZUY/7S9G_ZUY_ligand_start_conf.sdf

7SDB_4IP

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

MKKNHHHHHHLVPRGSKLASSIVCDSTIENPCIVQDSKTQFSPVIRYREVASIADVYGGNITGINKFHLSGSEQPSEKGWEAIAESISRKMGAETKKVIVLDLRQESHGYLNGRAITLVSVYNWINLGKSNSQSTLDQENWLTGLRSRKIVNGVLTVPQYVAKQYSQGKSMVVSTVKNEEYYVYKKGFDYYRIFISDHRAPLDSEVDALVALIKNNPEDTWYHVHSRGGKGRTTTVFAMFDMLKNADKVSFEEIIARQASIPPFYNLMVTNREIPELTPYYEQRLQFLIHFYEFARQSLMGYSGTWSEWKKLNI

posex_set/posex_cross_docking_set/7SDB_4IP/7SDB_4IP_protein.pdb

posex_set/posex_cross_docking_set/7SDB_4IP/7SDB_4IP_ligand_start_conf.sdf

7HGB_EJQ

O=C(CN1CCCC1)Nc1ccc(F)cc1

GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS

posex_set/posex_cross_docking_set/7HGB_EJQ/7HGB_EJQ_protein.pdb

posex_set/posex_cross_docking_set/7HGB_EJQ/7HGB_EJQ_ligand_start_conf.sdf

7LE0_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/7LE0_NF7/7LE0_NF7_protein.pdb

posex_set/posex_cross_docking_set/7LE0_NF7/7LE0_NF7_ligand_start_conf.sdf

8PST_ANP

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O

GSASMAAAAAAGAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS

posex_set/posex_cross_docking_set/8PST_ANP/8PST_ANP_protein.pdb

posex_set/posex_cross_docking_set/8PST_ANP/8PST_ANP_ligand_start_conf.sdf

7FVU_K7C

COCC1(c2nc(C3CCCC3)c(C)c(-c3ccc(F)cc3)c2-c2nnn[nH]2)CCCC1

GSHMDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA

posex_set/posex_cross_docking_set/7FVU_K7C/7FVU_K7C_protein.pdb

posex_set/posex_cross_docking_set/7FVU_K7C/7FVU_K7C_ligand_start_conf.sdf

7RH0_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/7RH0_D9J/7RH0_D9J_protein.pdb

posex_set/posex_cross_docking_set/7RH0_D9J/7RH0_D9J_ligand_start_conf.sdf

7S90_N6M

CNc1ncnc2[nH]cnc12

HMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE

posex_set/posex_cross_docking_set/7S90_N6M/7S90_N6M_protein.pdb

posex_set/posex_cross_docking_set/7S90_N6M/7S90_N6M_ligand_start_conf.sdf

8BOC_WT3

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

GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG

posex_set/posex_cross_docking_set/8BOC_WT3/8BOC_WT3_protein.pdb

posex_set/posex_cross_docking_set/8BOC_WT3/8BOC_WT3_ligand_start_conf.sdf

7NGG_UAW

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

MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR

posex_set/posex_cross_docking_set/7NGG_UAW/7NGG_UAW_protein.pdb

posex_set/posex_cross_docking_set/7NGG_UAW/7NGG_UAW_ligand_start_conf.sdf

5SFE_IK0

CNC(=O)c1cc(CCc2nc(N3CCCC3)nn2C)nn2c(C)c(C)nc12

GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED

posex_set/posex_cross_docking_set/5SFE_IK0/5SFE_IK0_protein.pdb

posex_set/posex_cross_docking_set/5SFE_IK0/5SFE_IK0_ligand_start_conf.sdf