instruction stringclasses 8
values | input stringlengths 16 761 | output stringlengths 112 280 |
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Analyze the binding relationship between the following compound and protein. | Compound SMILES: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MAQVAKKILVTCALPYANGSIHLGHMLEHIQADIWVRFQRMRGNQVHFICADDAHGTPIMLKAQQMGIEPEQMIAEMSQEHQQDFAGFAISYDNYHSTHSDENRELSSLIYGRLKANGYIKNRTISQLYDPEKGMFLPDRFVKGTCPKCKAPEQYGDNCEVCGATYSPTELIDPKSAVSGATPVMRESEHFFFDLPAFSD... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N.O=C(O)C(F)(F)F
Protein sequence: MPGIKVFGGTVLQGSVRVSGAKNATTKLLVASLLSDKRTILKNVPNIEDVQQTVDLCRALGAIVDWDKQAQVIDIHTPRILLSKVPPQFSCVNRIPILLLGALLRRCPYGIFVPILGGDAIGPRTLHFHLEGLKKLGAEIIVSDEGYWAAAPDGLIGAHITLPYPSVGATENLILASVGAQGRTIIKNAALEVEIIDLIV... | Yes, this compound binds to the given protein target. The SMILES structure CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N.O=C(O)C(F)(F)F has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MSAVVKSIKAREILDSRGNPTVEADVVLSDGSFGRAAVPSGASTGSHEAVELRDGDKSRYNGLGVHKAVANVNTTIASAISGFKASDQQRLDNLLIELDGTPNKAKLGANAMLATSLAVAHAAAASRHMPLYRYLNNSEEYILPVPMFNILNGGKHASNSTDFQEFMVMPVGAKSFAQALQMGTEVYHSLKKVLKGMNQN... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: O=S(=O)([O-])[O-].[Zn+2] | This approved drug compound targets the protein with sequence: MAVQVVQAVQAVHLESDAFLVCLNHALSTEKEEVMGLCIGELNDDTRSDSKFAYTGTEMRTVAEKVDAVRIVHIHSVIILRRSDKRKDRVEISPEQLSAASTEAERLAELTGRPMRVVGWYHSHPHITVWPSHVDVRTQAMYQMMDQGFVGLIFSCFIEDKNTKTGRVLYTCFQSIQAQKSSESLHGPRDFWSSSQHISI... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: O=C(O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O
Protein sequence: MIIVTGGFGMIGSNIVKALNEIGRKDILVVDNLKNGEKFVNLVDLDIADYCDKEDFIASIIAGDDFGEIDAVFHEGACSATTEWDGKYLMHNNYEYSKELLHFCLDHQIPFFYASSAATYGGRSDNFIEERKFEQPLNAYGYSKFLFDEYVRQVLPEADSPVCGFKYFNVYGPREQHKGSMASVAFHLNNQMLKGENPKL... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: CC(=O)C(O)=O | This approved drug compound targets the protein with sequence: MGAGGPRRGEGPPDGGWGWVVLGACFVVTGFAYGFPKAVSVFFRALMRDFDAGYSDTAWVSSIMLAMLYGTGPVSSILVTRFGCRPVMLAGGLLASAGMILASFATRLLELYLTAGVLTGLGLALNFQPSLIMLGLYFERRRPLANGLAAAGSPVFLSALSPLGQQLLERFGWRGGFLLLGGLLLHCCACGAVMRPPPGP... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1 | This approved drug compound targets the protein with sequence: MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCS... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CCC(NC(C)C)C(O)C1=CC(O)=C(O)C=C1 | This approved drug compound targets the protein with sequence: MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWR... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C
Protein sequence: MASERGKVKHNWSSTSEGCPRKRSCLREPCDVAPSSRPAQRSASRSGGPSSPKRLKAQKEDDVACSRRLSWGSSRRRNNSSSSFSPHFLGPGVGGAASKGCLIRNTRGFLSSGGSPLRPANASLEEMASLEEEACSLKVDSKDSSHNSTNSEFAAEAEGQNDTIEEPNKVQKRKRDRLRDQGSTMIYLKAIQGILGKSMP... | Yes, this compound binds to the given protein target. The SMILES structure COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: [H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@@H](CN2C)NC(=O)N(CC)CC | This approved drug compound targets the protein with sequence: MFRQEQPLAEGSFAPMGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAE... |
Does the following compound bind to the given protein target? | Compound SMILES: COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O
Protein sequence: MATLDVNPELYQAQLADKIARLKAMFVDYSMPELEVFESPVANYRMRAEFRIWHEGDDMYYIMFNQETREKYRVDQFPAASRLINDLMPLLMDAMKGSPILRHKLFQVDFLSTLSGEILVSLLYHRQLSEEWITAAQALKQRLNDEGFNLNLIGRARKMKVVLDRDYVVENLQVNGQPYVYKQVENSFTQPNAKVAEKML... | Yes, this compound binds to the given protein target. The SMILES structure COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12
Protein sequence: MSKVYDWFEERLEIQAIADDITSKYVPPHVNIFYCLGGITLTCFLVQVATGFAMTFYYRPTVTEAFSSVQYIMTEANFGWLIRSVHRWSASMMVLMMILHVFRVYLTGGFKKPRELTWVTGVVLAVLTASFGVTGYSLPWDQIGYWAVKIVTGVPEAIPVIGSPLVELLRGSASVGQSTLTRFYSLHTFVLPLLTAVFML... | Yes, this compound binds to the given protein target. The SMILES structure CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12 has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: CSCCCCCCCCn1ccnc1
Protein sequence: MTKLSAFNFQKWIDEHKHLLKPPVGNQLVFKDADLMVTVVGGPNKRTDYHDDPVEEFFYQLKGDMLLKLHDTSTGEFYDVPIREGDIFLLPAHIRHSPQRPQEGSIGLVIEPARPEGVLDAVEWYCFECSGLVHRAEVDLESIVDDLPPLYAAFYNDEKLRTCPHCNTVHPGKNPPEGWVAL | Yes, this compound binds to the given protein target. The SMILES structure CSCCCCCCCCn1ccnc1 has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MINVGLLFGSKSVEHEISIITAHQVLSFVDKNKYNIIPIYITKDGKWLTGKILEDLENFKNLERLEKKSKQISSISAKDGKLILHSNIKKITIDVCLLTFHGSNGEDGSIQGMLEFLNVPYTGCGMYSSMYTMDKVITKLILKEKNIPVVDFLYTNKKNYTNDFLNHCKEVLEYPMIVKPARLGSSIGVKKVNDKCELEE... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CC(=O)OC1=CC=CC=C1C(O)=O | This approved drug compound targets the protein with sequence: MAAAAAQGGGGGEPRRTEGVGPGVPGEVEMVKGQPFDVGPRYTQLQYIGEGAYGMVSSAYDHVRKTRVAIKKISPFEHQTYCQRTLREIQILLRFRHENVIGIRDILRASTLEAMRDVYIVQDLMETDLYKLLKSQQLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLINTTCDLKICDFGLARIADPEHDHTGF... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C | This approved drug compound targets the protein with sequence: MPVRRGHVAPQNTFLDTIIRKFEGQSRKFIIANARVENCAVIYCNDGFCELCGYSRAEVMQRPCTCDFLHGPRTQRRAAAQIAQALLGAEERKVEIAFYRKDGSCFLCLVDVVPVKNEDGAVIMFILNFEVVMEKDMVGSPAHDTNHRGPPTSWLAPGRAKTFRLKLPALLALTARESSVRSGGAGGAGAPGAVVVDVDL... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MAGILNVSALEIMDSRGNPTVEVEVILDDGSMGRAAVPSGASTGVHEAHELRDGGDRYLGKGVAKAVDFVNTEIDDALAGLEADDQRLIDQTLLELDGTENKSRLGANALLGVSMAVAHAAADSAGLELFRYVGGPNGHVLPVPMMNILNGGAHADSGVDVQEFMIAPIGAETFAEALQVGAEVYHSLKDVIKAKGLSTG... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C
Protein sequence: MELDEGELFMELIRDVANELDIDVLCHKILVNVGLLTHADRGSLFLAKGTPNNKYLVAKLFDVTQKTALKDAVTRARAEEIIIPFGIGIAGMVAQTKEMINIKEAYMDARFNCEIDLKTGYKTNAILCMPICNYEGDIIGVAQIINKTNGCMEFDEHDVEIFRRYLTFCGIGIQNAQLFEMSVQEYRRNQILLNLARSIF... | Yes, this compound binds to the given protein target. The SMILES structure COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc4ccccc4c3)[C@H]21)C(C)(C)C
Protein sequence: MSLSRTQIVNWLTRCGDIFSTESEYLTGLDREIGDADHGLNMNRGFSKVVEKLPAIADKDIGFILKNTGMTLLSSVGGASGPLFGTFFIRAAQATQARQSLTLEELYQMFRDGADGVISRGKAEPGDKTMCDVWVPVVESLRQSSEQNLSVPVALEAASSIAESAAQSTITMQARKGRASYLGERSIGHQDPGATSVMFM.... | Yes, this compound binds to the given protein target. The SMILES structure CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc4ccccc4c3)[C@H]21)C(C)(C)C has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: CNCC(O)C1=CC(OC(=O)C(C)(C)C)=C(OC(=O)C(C)(C)C)C=C1 | This approved drug compound targets the protein with sequence: MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPG... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [Na+].[Na+].[Na+].[Na+].CC1=C(OP([O-])([O-])=O)C2=CC=CC=C2C(OP([O-])([O-])=O)=C1 | This approved drug compound targets the protein with sequence: MQRVNMIMAESPGLITICLLGYLLSAECTVFLDHENANKILNRPKRYNSGKLEEFVQGNLERECMEEKCSFEEAREVFENTERTTEFWKQYVDGDQCESNPCLNGGSCKDDINSYECWCPFGFEGKNCELDVTCNIKNGRCEQFCKNSADNKVVCSCTEGYRLAENQKSCEPAVPFPCGRVSVSQTSKLTRAETVFPDVD... |
Does the following compound bind to the given protein target? | Compound SMILES: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MTVTPALLVILDGFGYREDSHDNAIALANTPNIDRFWTQYPHTLINASETFVGLPRGQMGNSEVGHLNIGAGRVVFQDFERINQAIASREFFSNPVLIEAVNKAKAGHKAVHILGLLSDGGVHSHQDHIHATIEMAVNAGVEKVYVHAFLDGRDTPPISAKPYLEKLEQACASIGGGKIASICGRFYAMDRDKRWPRVEA... | Yes, this compound binds to the given protein target. The SMILES structure Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12 has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O
Protein sequence: MVEEVLSYMITNKDGIYVDCTAGEGGHIKAILGYTNNKAKVIGVDVDYEVLEIAEERLKDLSDNVVLIKSSYKNIDMVLRGLGIDKVDGFLMDLGVSTFQLKGENRGFSFTKDEPLDMRMDVQSEKDAAYIVNNYSQEDLRRIIFEYGEEKRFAHSISKSIVKNRPINTTQELVDAIRKGLPASQVHERHRHFATKTFQA... | Yes, this compound binds to the given protein target. The SMILES structure COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O
Protein sequence: MEYFELILKTKKDLEEPIIAILEILGSKGTAIEDNFFDNSVLWDYVDEEFAERDYVLIRSYFDKDTDMEEIINRLKARIKENFEGLGDVEDVEYRVVKEEDWANEWKKYAKPIYVGRILILPSWEKVDTTEDKILVIMDPGMAFGSGSHPTTIMCIEMLQKYLKEGMDVLDVGTGSGILSIVAKKLGAGKVKGIDIDKKA... | Yes, this compound binds to the given protein target. The SMILES structure COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C | This approved drug compound targets the protein with sequence: MEPSSPQDEGLRKKQPKKPVPEILPRPPRALFCLTLENPLRKACISIVEWKPFETIILLTIFANCVALAVYLPMPEDDNNSLNLGLEKLEYFFLIVFSIEAAMKIIAYGFLFHQDAYLRSGWNVLDFTIVFLGVFTVILEQVNVIQSHTAPMSSKGAGLDVKALRAFRVLRPLRLVSGVPSLQVVLNSIFKAMLPLFHIA... |
Identify the protein target for the following approved drug compound. | Drug SMILES: [H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C | This approved drug compound targets the protein with sequence: MDSKESLTPGREENPSSVLAQERGDVMDFYKTLRGGATVKVSASSPSLAVASQSDSKQRRLLVDFPKGSVSNAQQPDLSKAVSLSMGLYMGETETKVMGNDLGFPQQGQISLSSGETDLKLLEESIANLNRSTSVPENPKSSASTAVSAAPTEKEFPKTHSDVSSEQQHLKGQTGTNGGNVKLYTTDQSTFDILQDLEFS... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MPPKEAQASQKLFGTDGVRGKANVYPMTAEVAMQLGRALAFLIRNGPHRHRVIVGKDTRLSGYMLEQALASGLTSMGVDVELVGPLPTPGISNITTSMRADAGAVISASHNPYEDNGIKFFWRDGFKLPDETEGKIEELVSSGSIDSIRPTATKIGRAFRMEDARGRYIVFLKATFPRELTLEGMTIVVDCANGAAYKTA... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NC(CC(C)C)C(=O)O)C(C)(C)CCC1
Protein sequence: MRYITAGESHGPQLTTIIEGVPAGLPLVADDINEELARRQKGYGRGRRMQIETDQVQIVSGVRHGETLGSPIALVVENRDFAHWTKIMGAEPLTEQEEKEMKRKVTKPRPGHADLNGAIKYGHRDMRNVLERSSARETTVRVAAGAVAKKVLAELGITVAGHVIEIGGVEAKETTYRSIEELKSITEASPVRCLDEEAGN... | Yes, this compound binds to the given protein target. The SMILES structure CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NC(CC(C)C)C(=O)O)C(C)(C)CCC1 has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C
Protein sequence: MTDVSAAAGGATAPAETAATSSSASKPLTNGANKTSTAMAAPTATPTTAATASGAAEAGAITSVAGISNQVKLEHHHHRQSNNNRPVAPYPPVPAAKPKPTPTPESKFKSTSREPGMSSSSSSAQQDVDEVARLFEEKPEAFEKWLTERAPPEALSRLQEFIESRKPLKRPSVTSDLFQQWMSASPTVQQKSPRSLSNSS... | Yes, this compound binds to the given protein target. The SMILES structure COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O | This approved drug compound targets the protein with sequence: MAAYSYRPGPGAGPGPAAGAALPDQSFLWNVFQRVDKDRSGVISDTELQQALSNGTWTPFNPVTVRSIISMFDRENKAGVNFSEFTGVWKYITDWQNVFRTYDRDNSGMIDKNELKQALSGFGYRLSDQFHDILIRKFDRQGRGQIAFDDFIQGCIVLQRLTDIFRRYDTDQDGWIQVSYEQYLSMVFSIV |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CC(C)(C)C(O)\C=C\C1=CC2=C(OCO2)C=C1 | This approved drug compound targets the protein with sequence: MSSPNIWSTGSSVYSTPVFSQKMTVWILLLLSLYPGFTSQKSDDDYEDYASNKTWVLTPKVPEGDVTVILNNLLEGYDNKLRPDIGVKPTLIHTDMYVNSIGPVNAINMEYTIDIFFAQTWYDRRLKFNSTIKVLRLNSNMVGKIWIPDTFFRNSKKADAHWITTPNRMLRIWNDGRVLYTLRLTIDAECQLQLHNFPMD... |
What is the biological target of this clinically approved compound? | Drug SMILES: CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: METTPLNSQKQLSACEDGEDCQENGVLQKVVPTPGDKVESGQISNGYSAVPSPGAGDDTRHSIPATTTTLVAELHQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSC... |
What is the biological target of this clinically approved compound? | Drug SMILES: C[C@@H]1CN(CC[C@]1(C(O)=O)C1=CC=CC=C1)[C@H]1CC[C@](CC1)(C#N)C1=CC=C(F)C=C1 | This approved drug compound targets the protein with sequence: MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFY... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C
Protein sequence: MRVLLSNDDGVHAAGLKALADAFHGDEVWVVAPDREQSASSHAISLHRPLRLLEVAPRWYAVDGTPTDAVYMGLNLVLRDARPDVVVSGVNHGPNLGNDVLYSGTVAAAMEGALLGVNAVAVSLAAPPPHDFGEAARFAAALARQVVARPPPAPVLLNVNVPPGPVRGYRFARLGRRTYGNEVVEKTDPRGRKYYWIGGE... | Yes, this compound binds to the given protein target. The SMILES structure COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]12CC3=CN(C)C4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)NC(CC)CO | This approved drug compound targets the protein with sequence: MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILI... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CCC(SC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl
Protein sequence: MADRNLRDLLAPWVPDAPSRALREMTLDSRVAAAGDLFVAVVGHQADGRRYIPQAIAQGVAAIIAEAKDEATDGEIREMHGVPVIYLSQLNERLSALAGRFYHEPSDNLRLVGVTGTNGKTTTTQLLAQWSQLLGETSAVMGTVGNGLLGKVIPTENTTGSAVDVQHELAGLVDQGATFCAMEVSSHGLVQHRVAALKFP... | Yes, this compound binds to the given protein target. The SMILES structure CCC(SC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1 | This approved drug compound targets the protein with sequence: MQKHSPGPPALALLSQSLLTTGNGDTLIINCPGFGQHRVDPAAFQAVFDRKAIGPVTNYSVATHVNISFTLSAIWNCYSRIHTFNCHHARPWHNQFVQWNPDECGGIKKSGMATENLWLSDVFIEESVDQTPAGLMASMSIVKATSNTISQCGWSASANWTPSISPSMDRARAWRRMSRSFQIHHRTSFRTRREWVLLGI... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O | This approved drug compound targets the protein with sequence: MAYPGYGGGFGNFSIQVPGMQMGQPVPETGPAILLDGYSGPAYSDTYSSAGDSVYTYFSAVAGQDGEVDAEELQRCLTQSGINGTYSPFSLETCRIMIAMLDRDHTGKMGFNAFKELWAALNAWKENFMTVDQDGSGTVEHHELRQAIGLMGYRLSPQTLTTIVKRYSKNGRIFFDDYVACCVKLRALTDFFRKRDHLQQ... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MMRPVVVKEKRVNESQIHVVEDEVRQAKTMDRDIVTHAMKQSIAKLNPKVMIKNPIMFVVEIGFIITFILSFLPSSSSSIPGWFNITVSLILLFTVLFANFAEALAEGRGKAQADSLKQSKKDVFANVVKENGDIVQVSATDLRKGDVVIVKQGEMIPSDGEVIKGLASVDESAITGESAPVIKEAGGDFCSVTGGTMVV... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(CBr)Nc1ccc(-c2ccc(C(=O)O)cc2)cc1
Protein sequence: MSDTIAAIATAHGVGSISIVRLSGERALEFALRFSRKTKLTPRHATFTKLFNQNNEIIDEAIMIYFKAPYSFTGEDIVEFQTHGGFSVSEVLLEELVSLGARFALAGEFSKRACLNGKMTPLKALNIQDLILSKSALAAKIIARNMQGNLGELLEKIRTDLVKTLAFVETSIDYADDDLPSDLLEKISTMCEENSKILKE... | Yes, this compound binds to the given protein target. The SMILES structure O=C(CBr)Nc1ccc(-c2ccc(C(=O)O)cc2)cc1 has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MKPTTIASLQKCKQDKKRFATITAYDYSFAKLFADEGLNVMLVGDSLGMTVQGHDSTLPVTVEDIAYHTAAVRRGAPNCLLLADLPFMAYATPEQAFENAATVMRAGANMVKIEGGEWLVETVKMLTERAVPVCGHLGLTPQSVNIFGGYKVQGRGDEAGDQLLSDALALEAAGAQLLVLECVPVELAKRITDALAIPVI... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MSQTKMLKVRVTLFCILAGIVLAMTAVVTDHWAVLSPHMEHHNTTCEAAHFGLWRICTKRIPMDDSKTCGPITLPGEKNCSYFRHFNPGESSEIFEFTTQKEYSISAAAIAIFSLGFIILGSLCVLLSLGKKRDYLLRPASMFYAFAGLCILVSVEVMRQSVKRMIDSEDTVWIEYYYSWSFACACAAFILLFLGGLALL... |
What is the biological target of this clinically approved compound? | Drug SMILES: CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 | This approved drug compound targets the protein with sequence: MRLPGAMPALALKGELLLLSLLLLLEPQISQGLVVTPPGPELVLNVSSTFVLTCSGSAPVVWERMSQEPPQEMAKAQDGTFSSVLTLTNLTGLDTGEYFCTHNDSRGLETDERKRLYIFVPDPTVGFLPNDAEELFIFLTEITEITIPCRVTDPQLVVTLHEKKGDVALPVPYDHQRGFSGIFEDRSYICKTTIGDREVD... |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MDSLDAEQLSALQKAFDSFDTDSKGFITPETVGVILRMMGVKISEKNLQEVISETDEDGSGELEFEEFVELAAKFLIEEDEEALKAELREAFRVYDRGGNGYITTDVLKEILRELDNRLTEEDLDSIIEEVDEDGSGTLDFNEFMQMMNG | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CNCC[S+]([O-])CP(=O)(O)O has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CC(C)NCC(O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1
Protein sequence: MTDDKKKGKFIVFEGLDRSGKSTQSKLLVEYLKNNNVEVKHLYFPNRETGIGQIISKYLKMENSMSNETIHLLFSANRWEHMNEIKSLLLKGIWVVCDRYAYSGVAYSSGALNLNKTWCMNPDQGLIKPDVVFYLNVPPNYAQNRSDYGEEIYEKVETQKKIYETYKHFAHEDYWINIDATRKIEDIHNDIVKEVTKIKV... | Yes, this compound binds to the given protein target. The SMILES structure CC(C)NCC(O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccccc1
Protein sequence: MRVHEEASEDKEREVEEAPDLMPLSPPLTAAATAAVVAVAGQRLVVGYALTKKKVKSFLQPKLLSLARKKSIHFVSIDETRPLSEQGPFDIILHKLTDKEWQQVLEDYREEHPEVTVLDPPNAIQHLHNRQSMLQEVADLNLSNAYGEVCTPRQLVIMKDPLSIPSAVAKAGLTLPLVAKPLVVDGTSKSHELSLAYVET... | Yes, this compound binds to the given protein target. The SMILES structure COC(=O)C1C2CC3CCC1N3C/C2=C\c1ccccc1 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: N[C@@H](CCC(O)=O)C(O)=O | This approved drug compound targets the protein with sequence: MVCEGKRSASCPCFFLLTAKFYWILTMMQRTHSQEYAHSIRVDGDIILGGLFPVHAKGERGVPCGELKKEKGIHRLEAMLYAIDQINKDPDLLSNITLGVRILDTCSRDTYALEQSLTFVQALIEKDASDVKCANGDPPIFTKPDKISGVIGAAASSVSIMVANILRLFKIPQISYASTAPELSDNTRYDFFSRVVPPDS... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MLKKIDLYTDGSCLGNPGPGGYGAVMVYGKHRKELAGGFRLTTNNRMELMAAIMGLRTLNEPCQVRLTTDSQYVRQGITQWIIGWKKKGWVTASRQPVKNVDLWQALDAEVARHQIEWLWVKGHSGHPENERCDELAREAASGKQLAEDTGYQP | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MEKDVVSLEDALEHGLTKEEFQKIQEILGRIPNSTELGIFSAMWSEHCSYKNSILKLKTLPTTSDKLLAKAGEENAGAMDIGDGLAVVFKIESHNHPTAVEPYQGAATGVGGIMRDIFTMGARPIVSLNSLRFGNPDEPKNKYLLSRAVKGIGDYGNSLGIAVSGGELFIDECFSKNPLVNAMTVGVVRHDQMASATTGG... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C | This approved drug compound targets the protein with sequence: MVPEPGPTANSTPAWGAGPPSAPGGSGWVAAALCVVIALTAAANSLLIALICTQPALRNTSNFFLVSLFTSDLMVGLVVMPPAMLNALYGRWVLARGLCLLWTAFDVMCCSASILNLCLISLDRYLLILSPLRYKLRMTPLRALALVLGAWSLAALASFLPLLLGWHELGHARPPVPGQCRLLASLPFVLVASGLTFFLP... |
Identify the protein target for the following approved drug compound. | Drug SMILES: COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC | This approved drug compound targets the protein with sequence: MPSYTVTVATGSQWFAGTDDYIYLSLVGSAGCSEKHLLDKPFYNDFERGAVDSYDVTVDEELGEIQLVRIEKRKYWLNDDWYLKYITLKTPHGDYIEFPCYRWITGDVEVVLRDGRAKLARDDQIHILKQHRRKELETRQKQYRWMEWNPGFPLSIDAKCHKDLPRDIQFDSEKGVDFVLNYSKAMENLFINRFMHMFQS... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MANFTPVNGSSGNQSVRLVTSSSHNRYETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGAFSMNLYTVYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTA... |
Does the following compound bind to the given protein target? | Compound SMILES: Cc1ccccc1N1CCN(CCCCN2CC(=O)N3CCCCC3C2=O)CC1
Protein sequence: MSYVKVEKASSFELTISDIAPDKSISHRSAMFSLLSDEPSQIENFLRAEDTLNTLEIVKALGAQVEESDEKILIKPPKQIQEPKDVLDCGNSGTGMRLFCGLLAGINGFFVLTGDKYLRERPMARVAKPLRSIGAKIDGRDNGNKAPLALRGNTDLEPFDYESPIASAQVKSALILAALRAKGECSISEPELSRDHTERM... | Yes, this compound binds to the given protein target. The SMILES structure Cc1ccccc1N1CCN(CCCCN2CC(=O)N3CCCCC3C2=O)CC1 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: FC(F)OC(F)(F)C(F)Cl | This approved drug compound targets the protein with sequence: MESLKRWNEERGLWCEKGVQVLLTTVGAFAAFGLMTIAISTDYWLYTRALICNTTNLTAGGDDGTPHRGGGGASEKKDPGGLTHSGLWRICCLEGLKRGVCVKINHFPEDTDYDHDSAEYLLRVVRASSIFPILSAILLLLGGVCVAASRVYKSKRNIILGAGILFVAAGLSNIIGVIVYISANAGEPGPKRDEEKKNHY... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MKVHEYQAKEIFSTYGIPVERHALCHTADGAVAAYHRMGVNRVAIKAQVLTGGRGKAGGVKLANNDRDVYQYAQTILEMTIKGYPVTKILLSEAVNIAAEYYISFTIDRNTRSVTLIMSAAGGMDIEEVARQSPEKIIRCSIDPLIGVPDYLAHKFAFSLFEQAEQANRMATIIQDLYKAFIEKDASLAEINPLVLTPVG... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(O)Cc1cccc2c1Cc1c-2nc(O)c2nc(-c3ccc(C(=O)O)cc3)cn12
Protein sequence: MQTTLQITPTGATLGATVTGVHLATLDDAGFAALHAAWLQHALLIFPGQHLSNDQQITFAKRFGAIERIGGGDIVAISNVKADGTVRQHSPAEWDDMMKVIVGNMAWHADSTYMPVMAQGAVFSAEVVPAVGGRTCFADMRAAYDALDEATRALVHQRSARHSLVYSQSKLGHVQQAGSAYIGYGMDTTATPLRPLVKVH... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)Cc1cccc2c1Cc1c-2nc(O)c2nc(-c3ccc(C(=O)O)cc3)cn12 has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CC1Cc2c(OCc3ccc(-c4ccccc4)cn3)ccc3c2c(c(CCSC(C)C(=O)O)n3Cc2ccc(Cl)cc2)S1
Protein sequence: MTIIRKKHPLIKIINHSFIDLPTPSNISSWWNFGSLLGLCLIMQILTGLFLAMHYTSDTATAFSSVAHICRDVNYGWLIRYMHANGASMFFICLFLHVGRGVYYGSYNMIETWNMGIILLFAVMATAFMGYVLPWGQMSFWGATVITNLLSAIPYIGTTLVEWIWGGFSVDKATLTRFFAFHFILPFIITALVLVHLLFL... | Yes, this compound binds to the given protein target. The SMILES structure CC1Cc2c(OCc3ccc(-c4ccccc4)cn3)ccc3c2c(c(CCSC(C)C(=O)O)n3Cc2ccc(Cl)cc2)S1 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C | This approved drug compound targets the protein with sequence: MKKWSSTDLGAAADPLQKDTCPDPLDGDPNSRPPPAKPQLSTAKSRTRLFGKGDSEEAFPVDCPHEEGELDSCPTITVSPVITIQRPGDGPTGARLLSQDSVAASTEKTLRLYDRRSIFEAVAQNNCQDLESLLLFLQKSKKHLTDNEFKDPETGKTCLLKAMLNLHDGQNTTIPLLLEIARQTDSLKELVNASYTDSYY... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]12C=C[C@H](OC(C)=O)[C@@H]3OC4=C(OC(C)=O)C=CC5=C4[C@]13CCN(C)[C@@H]2C5 | This approved drug compound targets the protein with sequence: MDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCPPTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAI... |
Does the following compound bind to the given protein target? | Compound SMILES: COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O
Protein sequence: MANEEDFVGFGDTFKDPEGFYPPEKEPTFAEHQMLSGQTVRVRLVGSHPLYGDLLWNAGRTSATYIEEKASSLVEGKDVLEVGAAAGVPSIVSAVKGARTVVMTDYPDPDLVENMRYNASLSAAIIPSSSSLHVAGYKWGDPVEPLTAYLPEGSNSFDLLIMADVVYSYQEHPNLIKVMQKALKKSKDSVALVVFTPYQP... | Yes, this compound binds to the given protein target. The SMILES structure COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MFHLRTCAAKLRPLTASQTVKTFSQNRPAAARTFQQIRCYSAPVAAEPFLSGTSSNYVEEMYCAWLENPKSVHKSWDIFFRNTNAGAPPGTAYQSPLPLSRGSLAAVAHAQSLVEAQPNVDKLVEDHLAVQSLIRAYQIRGHHVAQLDPLGILDADLDSSVPADIISSTDKLGFYGLDESDLDKVFHLPTTTFIGGQESA... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CNCC[S+]([O-])CP(=O)(O)O has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CNCC1=CC=C(C=C1)C1=C2CCNC(=O)C3=C2C(N1)=CC(F)=C3 | This approved drug compound targets the protein with sequence: MAESSDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWYHFSCFWKVGHSIRHPDVEVDGFSELRWDDQQKVKKTAEAGGVTGKGQDGIGSKAEKTLGDFAAEYAKSNRSTCKGCMEKIEKGQVRLSKKMVDPEKPQLGMIDRWYHPGCFVKNREELGFRPEYSASQLKGFSLLATEDKEALKKQLP... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: Cc1ccccc1N1CCN(CCCCN2CC(=O)N3CCCCC3C2=O)CC1
Protein sequence: MQIHTSKPAKTVRGEITVPGDKSISHRSIMLGSLARGITTVKGFLRGEDNLATLNAFRAMGIIVHDDGETLKIEGNGLHGLGEPADVLDCGNSGTSMRLMTGLLSGQRFFSVLTGDQYLRKRPMKRVLEPLNLMGATVFGRAGGDKAPLAIVGTSLKGIAYQSPVSSAQVKSAILLAGMYADGETQVTEPHLSRDHSERI... | Yes, this compound binds to the given protein target. The SMILES structure Cc1ccccc1N1CCN(CCCCN2CC(=O)N3CCCCC3C2=O)CC1 has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MLIIEDLRAFEVLDSRGNPTIKAEIMLSDGSMGSAIVPSGASTGKKEALELRDNDERFGGKGVLKAIENINGTIAENIIGLDAFNQTQLDNTLLELDGTKNYSNLGANATLGISMATARAAANALGIPLYRYLGGANASVLPVPMCNIINGGAHANNNVDFQEFMIMPFGFSSFKEGLRSVCEIYAILKKELAALGYSTA... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: OC(=O)C1CCN(CC1)C1=C(Cl)C=C(C=N1)C(=O)NC1=NC(C2=CC(Cl)=CS2)=C(S1)N1CCN(CC1)C1CCCCC1 | This approved drug compound targets the protein with sequence: MPSWALFMVTSCLLLAPQNLAQVSSQDVSLLASDSEPLKCFSRTFEDLTCFWDEEEAAPSGTYQLLYAYPREKPRACPLSSQSMPHFGTRYVCQFPDQEEVRLFFPLHLWVKNVFLNQTRTQRVLFVDSVGLPAPPSIIKAMGGSQPGELQISWEEPAPEISDFLRYELRYGPRDPKNSTGPTVIQLIATETCCPALQRP... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: C[C@H](NC(CCc1ccccc1)C(=O)O)C(=O)N1CC2CCCCC2[C@H]1C(=O)O
Protein sequence: MRLYELSFAQIEDFFYKLAEVKDIIKDHGLLEFLPEFKKLDSTVHTGTTRVKHAFPIFQKGGVVMDITNVQQAQIAEEAGAVAVMVLDKLPYDVRKSGGVARMADPKIIEEVMSSITIPVMAKVRIGHYYEAKLLEALGVDMIDESEVLTPADEEHHINKWEFSVPFVNGARNLGEALRRTSEGASMIRTKGEAGTGNVS... | Yes, this compound binds to the given protein target. The SMILES structure C[C@H](NC(CCc1ccccc1)C(=O)O)C(=O)N1CC2CCCCC2[C@H]1C(=O)O has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCOC1=C(OCC)C=C(\C=C2/NCCC3=CC(OCC)=C(OCC)C=C23)C=C1 | This approved drug compound targets the protein with sequence: MYDDSYVPGFEDSEAGSADSYTSRPSLDSDVSLEEDRESARREVESQAQQQLERAKHKPVAFAVRTNVSYCGVLDEECPVQGSGVNFEAKDFLHIKEKYSNDWWIGRLVKEGGDIAFIPSPQRLESIRLKQEQKARRSGNPSSLSDIGNRRSPPPSLAKQKQKQAEHVPPYDVVPSMRPVVLVGPSLKGYEVTDMMQKAL... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C | This approved drug compound targets the protein with sequence: MANFLLPRGTSSFRRFTRESLAAIEKRMAEKQARGSTTLQESREGLPEEEAPRPQLDLQASKKLPDLYGNPPQELIGEPLEDLDPFYSTQKTFIVLNKGKTIFRFSATNALYVLSPFHPIRRAAVKILVHSLFNMLIMCTILTNCVFMAQHDPPPWTKYVEYTFTAIYTFESLVKILARGFCLHAFTFLRDPWNWLDFSV... |
Identify the protein target for the following approved drug compound. | Drug SMILES: NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1 | This approved drug compound targets the protein with sequence: MWGLAGGRLFGIFSAPVLVAVVCCAQSVNDPGNMSFVKETVDKLLKGYDIRLRPDFGGPPVCVGMNIDIASIDMVSEVNMDYTLTMYFQQYWRDKRLAYSGIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWRGGDKAV... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MGAVPLKNNKPVEAGVRTVTVLGATGSIGDSTMDLLRGAPGRYRVEALTANSNVEALVKLAREFAARFVAVADPARFGELKDALAGSGIECGVGESAIIEAASRPADWLMAAVSGAAGLKPALAAVDRGTTIALANKECLVCAGDFFMQRAAKAGACILPADSEHNALFQALSSGNRDELTRVIITASGGPFRTWAAADI... | Yes, this compound binds to the given protein target. The SMILES structure Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12 has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MAPNGTASSFCLDSTACKITITVVLAVLILITVAGNVVVCLAVGLNRRLRNLTNCFIVSLAITDLLLGLLVLPFSAIYQLSCKWSFGKVFCNIYTSLDVMLCTASILNLFMISLDRYCAVMDPLRYPVLVTPVRVAISLVLIWVISITLSFLSIHLGWNSRNETSKGNHTTSKCKVQVNEVYGLVDGLVTFYLPLLIMCI... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CC/N=C(\N)Nc1nc2nc(NCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl
Protein sequence: MKQTVAAYIAKTLESAGVKRIWGVTGDSLNGLSDSLNRMGTIEWMSTRHEEVAAFAAGAEAQLSGELAVCAGSCGPGNLHLINGLFDCHRNHVPVLAIAAHIPSSEIGSGYFQETHPQELFRECSHYCELVSSPEQIPQVLAIAMRKAVLNRGVSVVVLPGDVALKPAPEGATMHWYHAPQPVVTPEEEELRKLAQLLRY... | Yes, this compound binds to the given protein target. The SMILES structure CC/N=C(\N)Nc1nc2nc(NCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MTLQKKIIELLGVKPAIIPEIEIKNCVDFLKKYLVNHVHIKSLIVGVSGGQDSTLTAKLCQMTAETLRKEKNDITYQFIALRLPYGIQYDEKDCQDAIRFIQPDQIFNVNIKKAVLSSEKSLKKSGVIISDYVRGNEKARERMKVQYSIAAMKQGLVVGTGHAAENITGFFTKYGDSGTDINPIAKLNKRQIRLLLKNLN... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MKVILLGAPGAGKGTQAQFIMHKFGIPQISTGDMFRAAIKEGTELGKQAKALMDQGKLVPDDLTVALVKDRIAQPDCAHGFLLDGFPRTIPQADALKDAGVKIDLVLEFDVADEVIVERMSGRRVHQPSGRTYHIIYNPPKVAGQDDITGEELITRADDKAETVLERLAVYHQQTKPLIAYYIAEAEKGNTRYERLDGTK... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1 | This approved drug compound targets the protein with sequence: MESCYNPGLDGIIEYDDFKLNSSIVEPKEPAPETADGPYLVIVEQPKQRGFRFRYGCEGPSHGGLPGASSEKGRKTYPTVKICNYEGPAKIEVDLVTHSDPPRAHAHSLVGKQCSELGICAVSVGPKDMTAQFNNLGVLHVTKKNMMGTMIQKLQRQRLRSRPQGLTEAEQRELEQEAKELKKVMDLSIVRLRFSAFLRA... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MDAPARLLAPLLLLCAQQLRGTRAMNDIGDYVGSNLEISWLPNLDGLIAGYARNFRPGIGGPPVNVALALEVASIDHISEANMEYTMTVFLHQSWRDSRLSYNHTNETLGLDSRFVDKLWLPDTFIVNAKSAWFHDVTVENKLIRLQPDGVILYSIRITSTVACDMDLAKYPMDEQECMLDLESYGYSSEDIVYYWSESQ... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MGKGVGRDKYEPAAVSEHGDKKKAKKERDMDELKKEVSMDDHKLSLDELHRKYGTDLNRGLTTARAAEILARDGPNALTPPPTTPEWVKFCRQLFGGFSMLLWIGAVLCFLAYGIQAATEEEPQNDNLYLGVVLSAVVIITGCFSYYQEAKSSKIMESFKNMVPQQALVIRNGEKMSINAEEVVVGDLVEVKGGDRIPAD... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: AGFPEQEPEPKFWNDWAQKTLDKALSLQTLNKNKAQNLILFLGDGMGVPTVTAARILKGQLRGQPGEEGQLEMDKFPFVALSKTYNTNAQVADSAGTATAYLCGVKANEGTVGVSAAAVRSQANTTQGNEVTSILRWAKDAGKSIGIVTTTRVNHATPSAAYAHCVDRDWYSDNEMPADAVEAGCKDIARQLFENIPDID... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MNKLQNIRGVAFDLDGTLVDSAPGLAAAVDMALYALELPVAGEERVITWIGNGADVLMERALTWASQERATLRKTMGKPPVDEDIPAEEQVRILRKLFDKYYGEVAEEGTFLFPHVADTLGALHASGLSLGLVTNKPTPFVAPLLESLDIAKYFSVVIGGDDVQNKKPHPEPLLLVASRLGMTPEQMLFVGDSRNDIQAA... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: O=S(=O)([O-])[O-].[Zn+2] | This approved drug compound targets the protein with sequence: MASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE |
Does the following compound bind to the given protein target? | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MKVFYDKDCDLSLIKGKTVAIIGYGSQGHAHAQNLNESGVKVVVGLRKGGASWDKVAKAGLTVAEVDDAVKSADLVMILLPDENIPEVYNNNVAPNIKQGATLAFAHGFNIHYNQVVPRADLDVIMVAPKGPGHTVRSEYLKGGGVPSLIAVYQDKSGKARDLALSYAMANGGGKGGIIETNFKEETETDLFGEQAVLCG... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CCCc1cccc(C(C)C)c1O
Protein sequence: MVNKMKWRRTHYSADIKPEMDGQEVIIMGWVHSIRALGKIIFVILRDREGTVQIVAPKQKVGDELFSQIKKLGAEDVIAVKGKVIANEKAPNGFEILPLELEVINTAKRPLPLDPAEKVPAELDTRLENRFLDLRRPKVQAIFKIRSEMLKSVRNTLYNEGFIEVNTPKLVASCTEGGTELFPISYFEREAFLGQSPQLY... | Yes, this compound binds to the given protein target. The SMILES structure CCCc1cccc(C(C)C)c1O has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCCC2=N1 | This approved drug compound targets the protein with sequence: MDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQGPQPRGRPQCKLNQEAWYILASSIGSFFAPCLIMILVYLRIYLIAK... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCCC(C)C1(CC)C(=O)NC(=S)NC1=O | This approved drug compound targets the protein with sequence: MKTKLNIYNMQFLLFVFLVWDPARLVLANIQEDEAKNNITIFTRILDRLLDGYDNRLRPGLGDSITEVFTNIYVTSFGPVSDTDMEYTIDVFFRQKWKDERLKFKGPMNILRLNNLMASKIWTPDTFFHNGKKSVAHNMTMPNKLLRIQDDGTLLYTMRLTVQAECPMHLEDFPMDAHSCPLKFGSYAYTTSEVTYIWTY... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1 | This approved drug compound targets the protein with sequence: MDQHQHLNKTAESASSEKKKTRRCNGFKMFLAALSFSYIAKALGGIIMKISITQIERRFDISSSLAGLIDGSFEIGNLLVIVFVSYFGSKLHRPKLIGIGCLLMGTGSILTSLPHFFMGYYRYSKETHINPSENSTSSLSTCLINQTLSFNGTSPEIVEKDCVKESGSHMWIYVFMGNMLRGIGETPIVPLGISYIDDFA... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MLTELEKALNSIIDVYHKYSLIKGNFHAVYRDDLKKLLETECPQYIRKKGADVWFKELDINTDGAVNFQEFLILVIKMGVAAHKKSHEESHKE | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CNCC[S+]([O-])CP(=O)(O)O has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=c1cnn(-c2ccc(Oc3ccc(Cl)cc3Cl)c(Cl)c2)c(=O)[nH]1
Protein sequence: MTLPLHVVILAAGEGKRMRSALPKVLQPLAGQPMLAHVIATARELQPAAIHVVHGHGGAQVQAAFAGQPDLQWAEQRQQLGTGHAVQQALHAVPDAATVLVLYGDVPLIRSESLRELLHAPGRIAVLVADLANPSGYGRIVRNPEGKVAAIVEQKDADDEQRRIRTINTGILTAESTALRRWLGGLSNDNAQGEFYLTDV... | Yes, this compound binds to the given protein target. The SMILES structure O=c1cnn(-c2ccc(Oc3ccc(Cl)cc3Cl)c(Cl)c2)c(=O)[nH]1 has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: AEEAPRRVKLSQRQMQELKEAFTMIDQDRDGFIGMEDLKDMFSSLGRVPPDDELNAMLKECPGQLNFTAFLTLFGEKVSGTDPEDALRNAFSMFDEDGQGFIPEDYLKDLLENMGDNFSKEEIKNVWKDAPLKNKQFNYNKMVDIKGKAEDED | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CNCC[S+]([O-])CP(=O)(O)O has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: FC(F)(F)CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MLSKVLPVLLGILLILQSRVEGPQTESKNEASSRDVVYGPQPQPLENQLLSEETKSTETETGSRVGKLPEASRILNTILSNYDHKLRPGIGEKPTVVTVEISVNSLGPLSILDMEYTIDIIFSQTWYDERLCYNDTFESLVLNGNVVSQLWIPDTFFRNSKRTHEHEITMPNQMVRIYKDGKVLYTIRMTIDAGCSLHML... |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O
Protein sequence: MANAITFFKLNTGAKFPSVGLGTWQASPGLVGDAVAAAVKIGYRHIDCAQIYGNEKEIGAVLKKLFEDRVVKREDLFITSKLWCTDHDPQDVPEALNRTLKDLQLEYVDLYLIHWPARIKKGSVGIKPENLLPVDIPSTWKAMEALYDSGKARAIGVSNFSTKKLADLLELARVPPAVNQVECHPSWRQTKLQEFCKSKG... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: CS(=O)(=O)c1ccc(C2=C(c3cc4ccccc4s3)C(=O)CC2)cc1
Protein sequence: MTSADGQKDLQSYMDAVTAMLKLPPSDRRNWYRNGFIHLMDCPHGDWWFTSWHRGYLGYFEETCRELSGNPDFALPYWDWTANPEVLPPLFGTILDPVNSSAYIPDHNRFQDIMQEPIKAYWDSLSPAQLQQQNLRGYPDFDALWSDAMASFANQPNARFLTAQNPKLNPATQTAVDIDTIKASLAPTTFANDAGAPGLA... | Yes, this compound binds to the given protein target. The SMILES structure CS(=O)(=O)c1ccc(C2=C(c3cc4ccccc4s3)C(=O)CC2)cc1 has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12
Protein sequence: MNYYSINLAKAHLLNYPCPLNINFLWNYGFLLGIIFFIQILTGVFLASRYTPEISYAYYSIQHILRELWSGWCFRYMHATGASLVFLLTYLHILRGLNYSYLYLPLSWISGLIIFALFIVTAFIGYVLPWGQMSYWGATVITNLLSSIPVLVIWLCGGYTVSDPTIKRFFVLHFILPFVALCIVFIHIFFLHLHGSTNPL... | Yes, this compound binds to the given protein target. The SMILES structure CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12 has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C | This approved drug compound targets the protein with sequence: MAMVSEFLKQAWFIENEEQEYVQTVKSSKGGPGSAVSPYPTFNPSSDVAALHKAIMVKGVDEATIIDILTKRNNAQRQQIKAAYLQETGKPLDETLKKALTGHLEEVVLALLKTPAQFDADELRAAMKGLGTDEDTLIEILASRTNKEIRDINRVYREELKRDLAKDITSDTSGDFRNALLSLAKGDRSEDFGVNEDLAD... |
What is the biological target of this clinically approved compound? | Drug SMILES: [Cl-].[Cl-].[Zn++] | This approved drug compound targets the protein with sequence: MLPGAWLLWTSLLLLARPAQPCPMGCDCFVQEVFCSDEELATVPLDIPPYTKNIIFVETSFTTLETRAFGSNPNLTKVVFLNTQLCQFRPDAFGGLPRLEDLEVTGSSFLNLSTNIFSNLTSLGKLTLNFNMLEALPEGLFQHLAALESLHLQGNQLQALPRRLFQPLTHLKTLNLAQNLLAQLPEELFHPLTSLQTLKL... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: METIDAEDAACLRRIALLGGCKGPVRLSTQALGDQLGISQQTASRRLQSLEKAQMISRTAESTGQYVLVTRSGEEHLRREFAEYAKIFDVKDEQYVLTGTVMSGVGEGRYYMSIPHYQEQFEKLCGFTPYPGTLNIKLNPQSVLIRKRMDSLEWTIVPGFKDEHRMFGEARCIKCTISGIPCAIVVPGRTHHPEEVIEVI... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: OCC(O)CO | This approved drug compound targets the protein with sequence: MLLKTVLLLGHVAQVLMLDNGLLQTPPMGWLAWERFRCNINCDEDPKNCISEQLFMEMADRMAQDGWRDMGYTYLNIDDCWIGGRDASGRLMPDPKRFPHGIPFLADYVHSLGLKLGIYADMGNFTCMGYPGTTLDKVVQDAQTFAEWKVDMLKLDGCFSTPEERAQGYPKMAAALNATGRPIAFSCSWPAYEGGLPPRV... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O
Protein sequence: MQGVPGFNTVPNPNHYDKSIVLDIKPLRSLKPVFPNGNQGPPFVGCPPFGPSSSEYSSFFPFGAQQPTHDTPDLNQTQNTPIPSFVPPLRSYRTPTKTNGPSSSSGTKRGVGRPKGTTSVKKKEKKTVANEPNLDVQVVKKFSSDFDSGISAAEREDGNAYLVSSVLMRFDAVRRRLSQVEFTKSATSKAAGTLMSNGVR... | Yes, this compound binds to the given protein target. The SMILES structure COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MAMAEGERTECAETPRDEPPADGTLKRAEELKTQANDYFKAKDYENAIKFYSQAIELNPGNAIYYGNRSLAYLRTECYGYALGDATRAIELDKKYIKGYYRRAASNMALGKFRAALRDYETVVKVKPNDKDAKMKYQECSKIVKQKAFERAIAGDEHRRSVVDSLDIESMTIEDEYSGPKLEDGKVTITFMKDLMQWYKD... | Yes, this compound binds to the given protein target. The SMILES structure Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12 has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C
Protein sequence: MAAQVTPELANLNSKPEGGAPPKQVPVKDVPENEDVESDDDNEGDQGAGEPGSTGAAKKKKKKKPKKKKKGGPKVQTEPPRVILSSIFPNNDYPVGELVEYKDDNAYRTTNEEKRYLDRMNNDFLSEYRYAAEVHRQVRQYAQKTIKPGQTLTEIAEGIEDSVRALTGHDGLTEGDNLLGGIAFPTGVNLNHCAAHYSPN... | Yes, this compound binds to the given protein target. The SMILES structure COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: O=C(O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O
Protein sequence: MSNYFNTLNLRQKLDQLGRCRFMERSEFADGCNFLKGKKIVIVGCGAQGLNQGLNMRDSGLDISYALRPEAITEKRASFQRATENGFKVGTYQELIPTADLVVNLTPDKQHSKVVADVMPLMKQGASFGYSHGFNIVEVGEQIREDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPANDPKGEGMAIAKAWASATGG... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O has documented binding affinity with the specified peptide sequence. |
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