CataAI/PoseX · Datasets at AI快站

7GNL_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/7GNL_X77/7GNL_X77_protein.pdb

posex_set/posex_cross_docking_set/7GNL_X77/7GNL_X77_ligand_start_conf.sdf

8QTJ_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/8QTJ_WUQ/8QTJ_WUQ_protein.pdb

posex_set/posex_cross_docking_set/8QTJ_WUQ/8QTJ_WUQ_ligand_start_conf.sdf

8IVR_L5F

Cc1ccc2cc1[C@@H](C)N1Cc3cc(ccc3OS1(=O)=O)OCCOCCn1nnc3c(C)c(ccc31)[C@H]2CC(=O)O

LHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC

posex_set/posex_cross_docking_set/8IVR_L5F/8IVR_L5F_protein.pdb

posex_set/posex_cross_docking_set/8IVR_L5F/8IVR_L5F_ligand_start_conf.sdf

7N4Q_YD7

CC(C)OC1CN(C(=O)N[C@@H]2CCCCc3cc(-c4ccnc(Nc5cnn(C)c5)n4)ccc32)C1

GYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES

posex_set/posex_cross_docking_set/7N4Q_YD7/7N4Q_YD7_protein.pdb

posex_set/posex_cross_docking_set/7N4Q_YD7/7N4Q_YD7_ligand_start_conf.sdf

5SAW_1K2

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

PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH

posex_set/posex_cross_docking_set/5SAW_1K2/5SAW_1K2_protein.pdb

posex_set/posex_cross_docking_set/5SAW_1K2/5SAW_1K2_ligand_start_conf.sdf

8PQF_98A

Cn1cc(-c2cc3c(N4CCN(c5ncccn5)CC4)ncnn3c2)cn1

GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH

posex_set/posex_cross_docking_set/8PQF_98A/8PQF_98A_protein.pdb

posex_set/posex_cross_docking_set/8PQF_98A/8PQF_98A_ligand_start_conf.sdf

8GEZ_UL6

CC(=O)N[C@H]1[C@H](OC[C@@H]2COCCO2)O[C@H](CO)[C@@H](O)[C@@H]1O

MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS

posex_set/posex_cross_docking_set/8GEZ_UL6/8GEZ_UL6_protein.pdb

posex_set/posex_cross_docking_set/8GEZ_UL6/8GEZ_UL6_ligand_start_conf.sdf

8BAJ_UUI

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

GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNSKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE

posex_set/posex_cross_docking_set/8BAJ_UUI/8BAJ_UUI_protein.pdb

posex_set/posex_cross_docking_set/8BAJ_UUI/8BAJ_UUI_ligand_start_conf.sdf

7H0S_A1AMV

CCNC(=O)c1cc2c(N[C@H](c3ccnc(N)c3)C(C)C)ncnc2[nH]1

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

posex_set/posex_cross_docking_set/7H0S_A1AMV/7H0S_A1AMV_protein.pdb

posex_set/posex_cross_docking_set/7H0S_A1AMV/7H0S_A1AMV_ligand_start_conf.sdf

7NGJ_UAK

CC1CCN(C(=O)N[C@H](C)c2ccccc2)CC1

MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR

posex_set/posex_cross_docking_set/7NGJ_UAK/7NGJ_UAK_protein.pdb

posex_set/posex_cross_docking_set/7NGJ_UAK/7NGJ_UAK_ligand_start_conf.sdf

7NGX_UAW

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

MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR

posex_set/posex_cross_docking_set/7NGX_UAW/7NGX_UAW_protein.pdb

posex_set/posex_cross_docking_set/7NGX_UAW/7NGX_UAW_ligand_start_conf.sdf

7RWF_8IQ

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

FMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL

posex_set/posex_cross_docking_set/7RWF_8IQ/7RWF_8IQ_protein.pdb

posex_set/posex_cross_docking_set/7RWF_8IQ/7RWF_8IQ_ligand_start_conf.sdf

7HG1_EJQ

O=C(CN1CCCC1)Nc1ccc(F)cc1

GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS

posex_set/posex_cross_docking_set/7HG1_EJQ/7HG1_EJQ_protein.pdb

posex_set/posex_cross_docking_set/7HG1_EJQ/7HG1_EJQ_ligand_start_conf.sdf

8WLB_RIP

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

MGSSHHHHHHSSGLVPRGSHMAAEYAVVLKTLSNPFWVDMKKGIEDEAKTLGVSVDIFASPSEGDFQSQLQLFEDLSNKKYKGIAFAPLSSVNLVMPVARAWQKGLYLVNLDEKIDMDNLKKAGGNVEGFVTTDNVAVGAKGADFIINKLGAEGGEVAIIEGKAGNASGEARRNGATEAFKKANQIKLVASQPADWDRIKALDVATNVLQRNPNLKAFYCANDTMAMGVAQAVANAGKIGKVLVVGTDGIPEARKMVEAGQMTATVAQNPADIGATGLKLMVDAAKTGKVIPLEKTPEFKLVDSILVTK

posex_set/posex_cross_docking_set/8WLB_RIP/8WLB_RIP_protein.pdb

posex_set/posex_cross_docking_set/8WLB_RIP/8WLB_RIP_ligand_start_conf.sdf

7NGG_UAT

CC1CCN(C(=O)NCc2ccccc2)CC1

MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR

posex_set/posex_cross_docking_set/7NGG_UAT/7NGG_UAT_protein.pdb

posex_set/posex_cross_docking_set/7NGG_UAT/7NGG_UAT_ligand_start_conf.sdf

7S4T_8IQ

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

MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL

posex_set/posex_cross_docking_set/7S4T_8IQ/7S4T_8IQ_protein.pdb

posex_set/posex_cross_docking_set/7S4T_8IQ/7S4T_8IQ_ligand_start_conf.sdf

8J5F_TV0

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

STSDRLKAVEQNLYDVGPRDSGGREGPGHYIAISGNTAAGKTTLIETLAGSLRAAGADAVGVSERVFHHRYLKLMFSASADFAFPIQLSFMLERHLLLLDNLVRRGRTMVMERSHLDDAMFVREHVASGAITAAQQRAYTEVSGELNARIPNPDLIVLMNPEPELSLERLARAEAEGSRPREFPSDAAKRAWVHRWYDLYQELHDDYRRRAVDGDLRGTELLELDAAASPEEKIATVTARARSLVVG

posex_set/posex_cross_docking_set/8J5F_TV0/8J5F_TV0_protein.pdb

posex_set/posex_cross_docking_set/8J5F_TV0/8J5F_TV0_ligand_start_conf.sdf

7H0B_A1AMV

CCNC(=O)c1cc2c(N[C@H](c3ccnc(N)c3)C(C)C)ncnc2[nH]1

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

posex_set/posex_cross_docking_set/7H0B_A1AMV/7H0B_A1AMV_protein.pdb

posex_set/posex_cross_docking_set/7H0B_A1AMV/7H0B_A1AMV_ligand_start_conf.sdf

8BOI_QU6

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

GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG

posex_set/posex_cross_docking_set/8BOI_QU6/8BOI_QU6_protein.pdb

posex_set/posex_cross_docking_set/8BOI_QU6/8BOI_QU6_ligand_start_conf.sdf

7FEU_4I1

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

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA

posex_set/posex_cross_docking_set/7FEU_4I1/7FEU_4I1_protein.pdb

posex_set/posex_cross_docking_set/7FEU_4I1/7FEU_4I1_ligand_start_conf.sdf

5SIM_JSM

CNCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1

GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED

posex_set/posex_cross_docking_set/5SIM_JSM/5SIM_JSM_protein.pdb

posex_set/posex_cross_docking_set/5SIM_JSM/5SIM_JSM_ligand_start_conf.sdf

7VRQ_82V

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

GSHMQDPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYEYNPPDHDVVAMARKLQDVFEFRYAKMPD

posex_set/posex_cross_docking_set/7VRQ_82V/7VRQ_82V_protein.pdb

posex_set/posex_cross_docking_set/7VRQ_82V/7VRQ_82V_ligand_start_conf.sdf

7B8K_T9Q

COCC(=O)NCc1ccccc1

ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH

posex_set/posex_cross_docking_set/7B8K_T9Q/7B8K_T9Q_protein.pdb

posex_set/posex_cross_docking_set/7B8K_T9Q/7B8K_T9Q_ligand_start_conf.sdf

7ZDY_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/7ZDY_IVG/7ZDY_IVG_protein.pdb

posex_set/posex_cross_docking_set/7ZDY_IVG/7ZDY_IVG_ligand_start_conf.sdf

8E9F_M4U

COc1cc(CN2CCc3c(cc(Cn4ccnc4C)cc3-c3cn(C)nc3C(F)(F)F)C2=O)cc(OC)c1

PVKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFNRDGSLIVSSSYDGLCRIWDTASGQCLKTLIDDDNPPVSFVKFSPNGKYILAATLDNTLKLWDYSKGKCLKTYTGHKNEKYCIFANFSVTGGKWIVSGSEDNLVYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKLWKSDC

posex_set/posex_cross_docking_set/8E9F_M4U/8E9F_M4U_protein.pdb

posex_set/posex_cross_docking_set/8E9F_M4U/8E9F_M4U_ligand_start_conf.sdf

7RGX_5BI

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

MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI

posex_set/posex_cross_docking_set/7RGX_5BI/7RGX_5BI_protein.pdb

posex_set/posex_cross_docking_set/7RGX_5BI/7RGX_5BI_ligand_start_conf.sdf

8V71_YHW

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

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN

posex_set/posex_cross_docking_set/8V71_YHW/8V71_YHW_protein.pdb

posex_set/posex_cross_docking_set/8V71_YHW/8V71_YHW_ligand_start_conf.sdf

7FW3_IQH

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

GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA

posex_set/posex_cross_docking_set/7FW3_IQH/7FW3_IQH_protein.pdb

posex_set/posex_cross_docking_set/7FW3_IQH/7FW3_IQH_ligand_start_conf.sdf

8BAK_Q8U

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

VFHKIRNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHETEVLLKVLDKAHRNYSESFFEAASMMSKLSHKHLVLNYGVCFCGDENILVQEFVKFGSLDTYLKKNKNCINILWKLEVAKQLAWAMHFLEENTLIHGNVCAKNILLIREEDRKTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDRHQLPAPKAAELANLINNCMDYEPDHRPSFRAIIRDLNSLFTPDLVPRGSHHHHHH

posex_set/posex_cross_docking_set/8BAK_Q8U/8BAK_Q8U_protein.pdb

posex_set/posex_cross_docking_set/8BAK_Q8U/8BAK_Q8U_ligand_start_conf.sdf

7S98_ZUY

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

HMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE

posex_set/posex_cross_docking_set/7S98_ZUY/7S98_ZUY_protein.pdb

posex_set/posex_cross_docking_set/7S98_ZUY/7S98_ZUY_ligand_start_conf.sdf

7H00_A1AK6

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

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

posex_set/posex_cross_docking_set/7H00_A1AK6/7H00_A1AK6_protein.pdb

posex_set/posex_cross_docking_set/7H00_A1AK6/7H00_A1AK6_ligand_start_conf.sdf

7LTY_0B9

O=C(N[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1)[C@H](Nc1cc(F)cc(Cl)c1)C1CC1

GSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES

posex_set/posex_cross_docking_set/7LTY_0B9/7LTY_0B9_protein.pdb

posex_set/posex_cross_docking_set/7LTY_0B9/7LTY_0B9_ligand_start_conf.sdf

7RGY_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/7RGY_5EI/7RGY_5EI_protein.pdb

posex_set/posex_cross_docking_set/7RGY_5EI/7RGY_5EI_ligand_start_conf.sdf

9MIU_A1L2V

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

TVFRQENVDDYYDTGEELGSGQFAVVKKCREKSTGLQYAAKFIKKRRTKSSRRGVSREDIEREVSILKEIQHPNVITLHEVYENKTDVILILELVAGGELFDFLAEKESLTEEEATEFLKQILNGVYYLHSLQIAHFDLKPENIMLLDRNVPKPRIKIIDFGLAHKIDFGNEFKNIFGTPEFVAPEIVNYEPLGLEADMWSIGVITYILLSGASPFLGDTKQETLANVSAVNYEFEDEYFSNTSALAKDFIRRLLVKDPKKRMTIQDSLQHPWIKPKDTQQALSSAWSHPQFEKSAWSHPQFEK

posex_set/posex_cross_docking_set/9MIU_A1L2V/9MIU_A1L2V_protein.pdb

posex_set/posex_cross_docking_set/9MIU_A1L2V/9MIU_A1L2V_ligand_start_conf.sdf

7H01_A1AK6

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

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

posex_set/posex_cross_docking_set/7H01_A1AK6/7H01_A1AK6_protein.pdb

posex_set/posex_cross_docking_set/7H01_A1AK6/7H01_A1AK6_ligand_start_conf.sdf

5SAW_1JI

O=C(N[C@@H]1CNC[C@H]1c1ccccc1)c1ccc(Cl)c(COc2cnc3[nH]ccc3c2)c1

PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH

posex_set/posex_cross_docking_set/5SAW_1JI/5SAW_1JI_protein.pdb

posex_set/posex_cross_docking_set/5SAW_1JI/5SAW_1JI_ligand_start_conf.sdf

7FVX_IQH

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

GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA

posex_set/posex_cross_docking_set/7FVX_IQH/7FVX_IQH_protein.pdb

posex_set/posex_cross_docking_set/7FVX_IQH/7FVX_IQH_ligand_start_conf.sdf

7ZWE_QY2

CO/N=C1/NC(=O)C(Cc2ccc3ncccc3c2)=[SH]1

GPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK

posex_set/posex_cross_docking_set/7ZWE_QY2/7ZWE_QY2_protein.pdb

posex_set/posex_cross_docking_set/7ZWE_QY2/7ZWE_QY2_ligand_start_conf.sdf

7ZWE_R7W

O=C1NC(=O)/C(=C/c2ccc3ncccc3c2)S1

GPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK

posex_set/posex_cross_docking_set/7ZWE_R7W/7ZWE_R7W_protein.pdb

posex_set/posex_cross_docking_set/7ZWE_R7W/7ZWE_R7W_ligand_start_conf.sdf

8YKL_7YY

Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1

GLVKMSHPSGDVEACMVQVTCGSMTLNGLWLDNTVWCPRHVMCPADQLSDPNYDALLISMTNHSFSVQKHIGAPANLRVVGHAMQGTLLKLTVDVANPSTPAYTFTTVKPGAAFSVLACYNGRPTGTFTVVMRPNYTIKGSFLCGSAGSVGYTKEGSVINFCYMHQMELANGTHTGSAFDGTMYGAFMDKQVHQVQLTDKYCSVNVVAWLYAAILNGCAWFVKPNRTSVVSFNEWALANQFTEFVGTQSVDMLAVKTGVAIEQLLYAIQQLYTGFQGKQILGSTMLEDEFTPEDVNMQIM

posex_set/posex_cross_docking_set/8YKL_7YY/8YKL_7YY_protein.pdb

posex_set/posex_cross_docking_set/8YKL_7YY/8YKL_7YY_ligand_start_conf.sdf

9GBE_NRR

CN(C)/C=C\C(=O)c1ccc2[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc3c2c1

GMQMELQSPEYKLSKLRTSTIMTDYNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILMELMAGRDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKV

posex_set/posex_cross_docking_set/9GBE_NRR/9GBE_NRR_protein.pdb

posex_set/posex_cross_docking_set/9GBE_NRR/9GBE_NRR_ligand_start_conf.sdf

8BAJ_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

GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNSKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE

posex_set/posex_cross_docking_set/8BAJ_A1H78/8BAJ_A1H78_protein.pdb

posex_set/posex_cross_docking_set/8BAJ_A1H78/8BAJ_A1H78_ligand_start_conf.sdf

8BIN_QT1

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

GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG

posex_set/posex_cross_docking_set/8BIN_QT1/8BIN_QT1_protein.pdb

posex_set/posex_cross_docking_set/8BIN_QT1/8BIN_QT1_ligand_start_conf.sdf

7FDX_ELA

CCCCCCCC/C=C/CCCCCCCC(=O)O

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA

posex_set/posex_cross_docking_set/7FDX_ELA/7FDX_ELA_protein.pdb

posex_set/posex_cross_docking_set/7FDX_ELA/7FDX_ELA_ligand_start_conf.sdf

7FVY_KWX

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

GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA

posex_set/posex_cross_docking_set/7FVY_KWX/7FVY_KWX_protein.pdb

posex_set/posex_cross_docking_set/7FVY_KWX/7FVY_KWX_ligand_start_conf.sdf

8BIN_QTX

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

GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG

posex_set/posex_cross_docking_set/8BIN_QTX/8BIN_QTX_protein.pdb

posex_set/posex_cross_docking_set/8BIN_QTX/8BIN_QTX_ligand_start_conf.sdf

7FDX_J3R

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

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA

posex_set/posex_cross_docking_set/7FDX_J3R/7FDX_J3R_protein.pdb

posex_set/posex_cross_docking_set/7FDX_J3R/7FDX_J3R_ligand_start_conf.sdf

7B98_T9Z

Oc1c(C[NH+]2CCOCC2)ccc2ccccc12

ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH

posex_set/posex_cross_docking_set/7B98_T9Z/7B98_T9Z_protein.pdb

posex_set/posex_cross_docking_set/7B98_T9Z/7B98_T9Z_ligand_start_conf.sdf

7RGZ_57I

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

MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI

posex_set/posex_cross_docking_set/7RGZ_57I/7RGZ_57I_protein.pdb

posex_set/posex_cross_docking_set/7RGZ_57I/7RGZ_57I_ligand_start_conf.sdf

8BK0_QRR

CNc1ncc2cc(-c3ccccc3Cl)c(=O)n(CCCCN)c2n1

GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG

posex_set/posex_cross_docking_set/8BK0_QRR/8BK0_QRR_protein.pdb

posex_set/posex_cross_docking_set/8BK0_QRR/8BK0_QRR_ligand_start_conf.sdf

8IXS_VCQ

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

LHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC

posex_set/posex_cross_docking_set/8IXS_VCQ/8IXS_VCQ_protein.pdb

posex_set/posex_cross_docking_set/8IXS_VCQ/8IXS_VCQ_ligand_start_conf.sdf

7FCX_OCA

CCCCCCCC(=O)O

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA

posex_set/posex_cross_docking_set/7FCX_OCA/7FCX_OCA_protein.pdb

posex_set/posex_cross_docking_set/7FCX_OCA/7FCX_OCA_ligand_start_conf.sdf

7BCD_AXV

N#CNc1nc2ccccc2[nH]1

ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH

posex_set/posex_cross_docking_set/7BCD_AXV/7BCD_AXV_protein.pdb

posex_set/posex_cross_docking_set/7BCD_AXV/7BCD_AXV_ligand_start_conf.sdf

7FU3_YMI

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

GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF

posex_set/posex_cross_docking_set/7FU3_YMI/7FU3_YMI_protein.pdb

posex_set/posex_cross_docking_set/7FU3_YMI/7FU3_YMI_ligand_start_conf.sdf

8PZ4_CIT

O=C(O)CC(O)(CC(=O)O)C(=O)O

MGSSHHHHHHSSGLVPRGSHMANSGEAPKNFGLDVKITGESENDRDLGTAPGGTLNDIGIDLRPWAFGQWGDWSAYFMGQAVAATDTIETDTLQSDTDDGNNSRNDGREPDKSYLAAREFWVDYAGLTAYPGEHLRFGRQRLREDSGQWQDTNIEALNWSFETTLLNAHAGVAQRFSEYRTDLDELAPEDKDRTHVFGDISTQWAPHHRIGVRIHHADDSGHLRRPGEEVDNLDKTYTGQLTWLGIEATGDAYNYRSSMPLNYWASATWLTGDRDNLTTTTVDDRRIATGKQSGDVNAFGVDLGLRWNIDEQWKAGVGYARGSGGGKDGEEQFQQTGLESNRSNFTGTRSRVHRFGEAFRGELSNLQAATLFGSWQLREDYDASLVYHKFWRVDDDSDIGTSGINAALQPGEKDIGQELDLVVTKYFKQGLLPASMSQYVDEPSALIRFRGGLFKPGDAYGPGTDSTMHRAFVDFIWRF

posex_set/posex_cross_docking_set/8PZ4_CIT/8PZ4_CIT_protein.pdb

posex_set/posex_cross_docking_set/8PZ4_CIT/8PZ4_CIT_ligand_start_conf.sdf

5SAW_1IJ

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

PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH

posex_set/posex_cross_docking_set/5SAW_1IJ/5SAW_1IJ_protein.pdb

posex_set/posex_cross_docking_set/5SAW_1IJ/5SAW_1IJ_ligand_start_conf.sdf

8PQD_9KI

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

GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH

posex_set/posex_cross_docking_set/8PQD_9KI/8PQD_9KI_protein.pdb

posex_set/posex_cross_docking_set/8PQD_9KI/8PQD_9KI_ligand_start_conf.sdf

7LDY_K20

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

PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF

posex_set/posex_cross_docking_set/7LDY_K20/7LDY_K20_protein.pdb

posex_set/posex_cross_docking_set/7LDY_K20/7LDY_K20_ligand_start_conf.sdf

7AN5_ISJ

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

MVDNSRTRPRVGHIQFLNCLPLYWGLARTGTLLDFELTKDTPEKLSEQLVRGDLDIGPVTLVEFLKNADDLVAFPDIAVGCDGPVMSCVIVSQVPLDRLDGARVALGSTSRTSVRLAQLLLSERFGVQPDYYTCPPDLSLMMQEADAAVLIGDAALRANMIDGPRYGLDVHDLGALWKEWTGLPFVFAVWAARRDYAEREPVITRKVHEAFLASRNLSLEEVEKVAEQAARWEAFDEDTLAKYFTTLDFRFGAPQLEAVTEFARRVGPTTGFPADVKVELLKPLEHHHHHH

posex_set/posex_cross_docking_set/7AN5_ISJ/7AN5_ISJ_protein.pdb

posex_set/posex_cross_docking_set/7AN5_ISJ/7AN5_ISJ_ligand_start_conf.sdf

8B9E_AD5

c1nc2c(NC3CCCCC3)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1

VFHKIRNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHETEVLLKVLDKAHRNYSESFFEAASMMSKLSHKHLVLNYGVCFCGDENILVQEFVKFGSLDTYLKKNKNCINILWKLEVAKQLAWAMHFLEENTLIHGNVCAKNILLIREEDRKTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDRHQLPAPKAAELANLINNCMDYEPDHRPSFRAIIRDLNSLFTPDLVPRGSHHHHHH

posex_set/posex_cross_docking_set/8B9E_AD5/8B9E_AD5_protein.pdb

posex_set/posex_cross_docking_set/8B9E_AD5/8B9E_AD5_ligand_start_conf.sdf

5SB1_1IM

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

PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH

posex_set/posex_cross_docking_set/5SB1_1IM/5SB1_1IM_protein.pdb

posex_set/posex_cross_docking_set/5SB1_1IM/5SB1_1IM_ligand_start_conf.sdf

8GF1_ZMB

COC(=O)[C@@H](C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O

MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS

posex_set/posex_cross_docking_set/8GF1_ZMB/8GF1_ZMB_protein.pdb

posex_set/posex_cross_docking_set/8GF1_ZMB/8GF1_ZMB_ligand_start_conf.sdf

7YY5_PNS

CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS

SMTGAVCPGSFDPVTLGHLDVFERAAAQFDEVIVAVLINPNKAGMFTVDERIEMIRESTADLPNLRVESGQGLLVDFVRERGLNAIVKGLRTGTDFEYELQMAQMNKHIAGVDTFFVATAPAYSFVSSSLAKEVATYGGDVSALLPASVHQRLLGKLRGQAQ

posex_set/posex_cross_docking_set/7YY5_PNS/7YY5_PNS_protein.pdb

posex_set/posex_cross_docking_set/7YY5_PNS/7YY5_PNS_ligand_start_conf.sdf

8PQF_9JI

Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1

GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH

posex_set/posex_cross_docking_set/8PQF_9JI/8PQF_9JI_protein.pdb

posex_set/posex_cross_docking_set/8PQF_9JI/8PQF_9JI_ligand_start_conf.sdf

9F96_A1IAU

Nc1c(O)cc(-c2cccc(O)c2)cc1C(=O)O

MGSSHHHHHHSSGLVPRGSHMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL

posex_set/posex_cross_docking_set/9F96_A1IAU/9F96_A1IAU_protein.pdb

posex_set/posex_cross_docking_set/9F96_A1IAU/9F96_A1IAU_ligand_start_conf.sdf

7BCH_T9Z

Oc1c(C[NH+]2CCOCC2)ccc2ccccc12

ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH

posex_set/posex_cross_docking_set/7BCH_T9Z/7BCH_T9Z_protein.pdb

posex_set/posex_cross_docking_set/7BCH_T9Z/7BCH_T9Z_ligand_start_conf.sdf

7GZY_A1AK7

CNC(=O)Cn1cc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)cn1

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

posex_set/posex_cross_docking_set/7GZY_A1AK7/7GZY_A1AK7_protein.pdb

posex_set/posex_cross_docking_set/7GZY_A1AK7/7GZY_A1AK7_ligand_start_conf.sdf

7V13_ORU

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

IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV

posex_set/posex_cross_docking_set/7V13_ORU/7V13_ORU_protein.pdb

posex_set/posex_cross_docking_set/7V13_ORU/7V13_ORU_ligand_start_conf.sdf

7B8K_UR4

COCC(=O)Nc1nc(-c2ccccc2)cs1

ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH

posex_set/posex_cross_docking_set/7B8K_UR4/7B8K_UR4_protein.pdb

posex_set/posex_cross_docking_set/7B8K_UR4/7B8K_UR4_ligand_start_conf.sdf

7USH_7UM

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

GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD

posex_set/posex_cross_docking_set/7USH_7UM/7USH_7UM_protein.pdb

posex_set/posex_cross_docking_set/7USH_7UM/7USH_7UM_ligand_start_conf.sdf

7V16_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/7V16_OQ6/7V16_OQ6_protein.pdb

posex_set/posex_cross_docking_set/7V16_OQ6/7V16_OQ6_ligand_start_conf.sdf

8BOC_R0O

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

GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG

posex_set/posex_cross_docking_set/8BOC_R0O/8BOC_R0O_protein.pdb

posex_set/posex_cross_docking_set/8BOC_R0O/8BOC_R0O_ligand_start_conf.sdf

5SKP_IYW

O=c1ccn(Cc2ccccc2)nc1-c1ccnn1-c1ccccc1

GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED

posex_set/posex_cross_docking_set/5SKP_IYW/5SKP_IYW_protein.pdb

posex_set/posex_cross_docking_set/5SKP_IYW/5SKP_IYW_ligand_start_conf.sdf

7B9D_UR4

COCC(=O)Nc1nc(-c2ccccc2)cs1

ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH

posex_set/posex_cross_docking_set/7B9D_UR4/7B9D_UR4_protein.pdb

posex_set/posex_cross_docking_set/7B9D_UR4/7B9D_UR4_ligand_start_conf.sdf

7SLZ_L6U

CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](NC(=O)CNCc1ccc(OC)cc1OC)c1cccs1

GSGSKFRGHQKSKGNSYDVEVVLQHVDTGNSYLCGYLKIKGLTEEYPTLTTFFEGEIISKKHPFLTRKWDADEDVDRKHWGKFLAFYQYAKSFNSDDFDYEELKNGDYVFMRWKEQFLVPDHTIKDISGASFAGFYYICFQKSAASIEGYYYHRSSEWYQSLNLTHV

posex_set/posex_cross_docking_set/7SLZ_L6U/7SLZ_L6U_protein.pdb

posex_set/posex_cross_docking_set/7SLZ_L6U/7SLZ_L6U_ligand_start_conf.sdf

8I6A_ODF

O=c1[nH]cc(O)c(=O)[nH]1

MHHHHHHGMASMTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP

posex_set/posex_cross_docking_set/8I6A_ODF/8I6A_ODF_protein.pdb

posex_set/posex_cross_docking_set/8I6A_ODF/8I6A_ODF_ligand_start_conf.sdf

5SJV_IK0

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

GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED

posex_set/posex_cross_docking_set/5SJV_IK0/5SJV_IK0_protein.pdb

posex_set/posex_cross_docking_set/5SJV_IK0/5SJV_IK0_ligand_start_conf.sdf

7GC0_L5I

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

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_cross_docking_set/7GC0_L5I/7GC0_L5I_protein.pdb

posex_set/posex_cross_docking_set/7GC0_L5I/7GC0_L5I_ligand_start_conf.sdf

7UU0_LDR

O=c1[nH]c2ccccc2c2ccccc12

MHHHHHHSSGVDLGTENLYFQSMGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD

posex_set/posex_cross_docking_set/7UU0_LDR/7UU0_LDR_protein.pdb

posex_set/posex_cross_docking_set/7UU0_LDR/7UU0_LDR_ligand_start_conf.sdf

7V17_OT7

Cn1nccc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1

IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV

posex_set/posex_cross_docking_set/7V17_OT7/7V17_OT7_protein.pdb

posex_set/posex_cross_docking_set/7V17_OT7/7V17_OT7_ligand_start_conf.sdf

7HGA_EJQ

O=C(CN1CCCC1)Nc1ccc(F)cc1

GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS

posex_set/posex_cross_docking_set/7HGA_EJQ/7HGA_EJQ_protein.pdb

posex_set/posex_cross_docking_set/7HGA_EJQ/7HGA_EJQ_ligand_start_conf.sdf

7GC1_L5I

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

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

posex_set/posex_cross_docking_set/7GC1_L5I/7GC1_L5I_protein.pdb

posex_set/posex_cross_docking_set/7GC1_L5I/7GC1_L5I_ligand_start_conf.sdf

8XGV_SIU

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

LHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC

posex_set/posex_cross_docking_set/8XGV_SIU/8XGV_SIU_protein.pdb

posex_set/posex_cross_docking_set/8XGV_SIU/8XGV_SIU_ligand_start_conf.sdf

8RDS_7SE

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

AMPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD

posex_set/posex_cross_docking_set/8RDS_7SE/8RDS_7SE_protein.pdb

posex_set/posex_cross_docking_set/8RDS_7SE/8RDS_7SE_ligand_start_conf.sdf

8V74_YHE

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

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN

posex_set/posex_cross_docking_set/8V74_YHE/8V74_YHE_protein.pdb

posex_set/posex_cross_docking_set/8V74_YHE/8V74_YHE_ligand_start_conf.sdf

7V15_OTL

Cn1cncc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1

IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV

posex_set/posex_cross_docking_set/7V15_OTL/7V15_OTL_protein.pdb

posex_set/posex_cross_docking_set/7V15_OTL/7V15_OTL_ligand_start_conf.sdf

7Q7K_9I8

COc1cc(-c2ccc(O)cc2)cc2cnc(Nc3cnn(C)c3)nc12

MHHHHHHDYKDDDDKENLYFQGRDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQSIVTHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG

posex_set/posex_cross_docking_set/7Q7K_9I8/7Q7K_9I8_protein.pdb

posex_set/posex_cross_docking_set/7Q7K_9I8/7Q7K_9I8_ligand_start_conf.sdf

8TRP_MES

O=S(=O)([O-])CC[NH+]1CCOCC1

MKHLLKAGALVALACIVTLTAGAQAHAAKRINIRLAHPMAPGNNVTVGYEKFKELVAEKSNGRVRIQLFGNCMLGSDRVTMEAAQRGTLEMASSSSPNMANFSKQWMVFDLPYITSPEHQQKLYKAIDDGELGKKLDEIAASIGLKPIMYSEYGYRNFVTTKKPIKTADDLKNLKVRTTDSPIEVAVAAALGMAPTPISWGETYTALQQGTVDGEGNTFSLLNDAKHTEVLKYAIDSAHNYSMHLLMMNKAYYDSLPANVQQILTEAGREALTYQRSITSELEKKAEDAFIEQGITVTRLSPEERAKLVERTRPVWDKFKDDIPAELIKLVQETQQ

posex_set/posex_cross_docking_set/8TRP_MES/8TRP_MES_protein.pdb

posex_set/posex_cross_docking_set/8TRP_MES/8TRP_MES_ligand_start_conf.sdf

9F94_A1IAW

CCOc1cccc(C(=O)O)c1N

MGSSHHHHHHSSGLVPRGSHMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL

posex_set/posex_cross_docking_set/9F94_A1IAW/9F94_A1IAW_protein.pdb

posex_set/posex_cross_docking_set/9F94_A1IAW/9F94_A1IAW_ligand_start_conf.sdf

7FCX_2AN

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

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA

posex_set/posex_cross_docking_set/7FCX_2AN/7FCX_2AN_protein.pdb

posex_set/posex_cross_docking_set/7FCX_2AN/7FCX_2AN_ligand_start_conf.sdf

7FEZ_J3R

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

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA

posex_set/posex_cross_docking_set/7FEZ_J3R/7FEZ_J3R_protein.pdb

posex_set/posex_cross_docking_set/7FEZ_J3R/7FEZ_J3R_ligand_start_conf.sdf

5SB2_1IJ

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

PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH

posex_set/posex_cross_docking_set/5SB2_1IJ/5SB2_1IJ_protein.pdb

posex_set/posex_cross_docking_set/5SB2_1IJ/5SB2_1IJ_ligand_start_conf.sdf

7HG0_A1A34

COCC(=O)NCc1ccc(C)cc1

GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS

posex_set/posex_cross_docking_set/7HG0_A1A34/7HG0_A1A34_protein.pdb

posex_set/posex_cross_docking_set/7HG0_A1A34/7HG0_A1A34_ligand_start_conf.sdf

5SGV_IK0

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

GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED

posex_set/posex_cross_docking_set/5SGV_IK0/5SGV_IK0_protein.pdb

posex_set/posex_cross_docking_set/5SGV_IK0/5SGV_IK0_ligand_start_conf.sdf

7FVW_IZ7

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

GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA

posex_set/posex_cross_docking_set/7FVW_IZ7/7FVW_IZ7_protein.pdb

posex_set/posex_cross_docking_set/7FVW_IZ7/7FVW_IZ7_ligand_start_conf.sdf

7B8K_T3N

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

ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH

posex_set/posex_cross_docking_set/7B8K_T3N/7B8K_T3N_protein.pdb

posex_set/posex_cross_docking_set/7B8K_T3N/7B8K_T3N_ligand_start_conf.sdf

8BOM_QJI

O=C(Nc1ccccc1Cl)c1cnc2ccc(C3CCNCC3)cn12

GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG

posex_set/posex_cross_docking_set/8BOM_QJI/8BOM_QJI_protein.pdb

posex_set/posex_cross_docking_set/8BOM_QJI/8BOM_QJI_ligand_start_conf.sdf

7FVW_KL3

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

GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA

posex_set/posex_cross_docking_set/7FVW_KL3/7FVW_KL3_protein.pdb

posex_set/posex_cross_docking_set/7FVW_KL3/7FVW_KL3_ligand_start_conf.sdf

9BU1_TVL

C[C@@H]1CCCN1CCOc1ccc([C@@H]2c3ccc(O)cc3CC3(CC3)N2C(=O)c2ccccc2)cc1

HHHHHHENLYFQSMLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLESAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKSVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKSKNVVPLSDLLLEMLDAHRLHAPTS

posex_set/posex_cross_docking_set/9BU1_TVL/9BU1_TVL_protein.pdb

posex_set/posex_cross_docking_set/9BU1_TVL/9BU1_TVL_ligand_start_conf.sdf

7FU9_YUF

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

GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF

posex_set/posex_cross_docking_set/7FU9_YUF/7FU9_YUF_protein.pdb

posex_set/posex_cross_docking_set/7FU9_YUF/7FU9_YUF_ligand_start_conf.sdf