instruction stringclasses 8
values | input stringlengths 16 761 | output stringlengths 112 280 |
|---|---|---|
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CN1C2=C(NC=N2)C(=O)N(C)C1=O | This approved drug compound targets the protein with sequence: MKKSRSVMTVMADDNVKDYFECSLSKSYSSSSNTLGIDLWRGRRCCSGNLQLPPLSQRQSERARTPEGDGISRPTTLPLTTLPSIAITTVSQECFDVENGPSPGRSPLDPQASSSAGLVLHATFPGHSQRRESFLYRSDSDYDLSPKAMSRNSSLPSEQHGDDLIVTPFAQVLASLRSVRNNFTILTNLHGTSNKRSPAA... |
Does the following compound bind to the given protein target? | Compound SMILES: CC1Cc2c(OCc3ccc(-c4ccccc4)cn3)ccc3c2c(c(CCSC(C)C(=O)O)n3Cc2ccc(Cl)cc2)S1
Protein sequence: MTHMRKSHPLIKIINHSFIDLPTPSNISAWWNFGSLLGICLGLQIITGLFLAMHYTADTITAFSSVTHICRDVNYGWLIRYLHANGASMFFILLYLHIGRGIYYGSYTFMETWNIGILLLFAVMATAFMGYVLPWGQMSSWGATVITNLLSAIPYIGTTLVEWIWGGFSVDKATLTRFFAFHFILPFIIPALVMIHFFFL... | 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. |
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: MSKGIVLLAAGGTGGHVFPAEALAFKLKERGYSVHLVTDSRAERYAGKFPAEEIHVVPSATIGSKNPVAVARSLWTLWSGMRAAKKLIQRLQPVIVVGFGGYPTVPPLLAATRLGVPSMIHEQNAVMGRANKALATRVQAIAGGFLPEGGAAFPDKTVTTGNPVRPAIIAAAEVPYTPSHPGEAFNLVVFGGSQGAQYFS... | 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. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=C(O)Cc1cccc2c1Cc1c-2nc(O)c2nc(-c3ccc(C(=O)O)cc3)cn12
Protein sequence: MNISVENPVFVHEDSTTQKTGELRLDSDIPMSKISSDDEVFLAPEMNAFGRQFRDYTDTNSERQKSVEHFYATQHTNQTLDFVQKMRSEYGKLDKMVMNIWECCELSKEVVDESDPDLDEPQIQHLLQSAEAIRKDYPNEDWLHLTALIHDLGKVLTLPQFGGLPQWAVVGDTFPVGCAFDESNVHHKYFMENPDFNNPK... | 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. |
What is the biological target of this clinically approved compound? | Drug SMILES: N[C@@H](CS)C(O)=O | This approved drug compound targets the protein with sequence: MAPPSVFAEVPQAQPVLVFKLTADFREDPDPRKVNLGVGAYRTDDCHPWVLPVVKKVEQKIANDNSLNHEYLPILGLAEFRSCASRLALGDDSPALKEKRVGGVQSLGGTGALRIGADFLARWYNGTNNKNTPVYVSSPTWENHNAVFSAAGFKDIRSYRYWDAEKRGLDLQGFLNDLENAPEFSIVVLHACAHNPTGID... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COc1cc2c(cc1OC)[C@H]1C[C@@](O)(C(C)(C)C)[C@H](CC(C)C)CN1CC2
Protein sequence: MNQSLLAPFGTAIERVEAGLNALRQGQGVLVVDDEDRENEGDLIFAAQTLTNTQMAMLIRECSGIVCLCLPDEKVKALELPPMVENNSSQYGTAFTVSIEAKVGVTTGVSAADRVTTIKAAIADGAKPSDLARPGHVYPLRAQPGGVLTRRGHTEGTIDLMQLAGLKPAGVLCEVTNPDGTMARLPEIIAFGAQHNIPVL... | Yes, this compound binds to the given protein target. The SMILES structure COc1cc2c(cc1OC)[C@H]1C[C@@](O)(C(C)(C)C)[C@H](CC(C)C)CN1CC2 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: MGCGMSVEEKEGKARNEEIENQLKRDRMQQRNEIKMLLLGAGESGKSTILKQMKLIHEGGYSRDERESFKEIIYSNTVQSMRVILEAMESLELPLEDQRMEYHVQTIFMQPAQIEGEVLPPEVGNAIEALWKDRGVQECFKRSREYQLNDSARYYFDNIARIAAPDYMPDDQDVLRSRVKTTGITETTFIIGDLTYRMFD... | 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: CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(C)=O)N(C)C)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O | This approved drug compound targets the protein with sequence: MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATGYHFNVMTCEGCKGFFRRAMKRNARLRCPFRKGACEITRKTRRQCQACRLRKCLESGMKKEMIMSDEAVEERRALIKRKKSERTGTQPLGVQGLTEEQRMMIRELMDAQMKTFDTTFSHFKNFRLPGVLSSGCELPESLQAPSREEAAKWS... |
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: MQRTIKSFFQPKLGAEVKTKEEKVKNDVQKEKEEPEKSVPERPLKERNGRALCGDTESPVKRVSKKSARVLESDSEEEEENSKVQATPEKMNNESDPKNDVKETPPSARKETPPSARKETPPSARKETPQSARKETPPSARKDAKSEGASEMNTSQDFVSPCSSKSIDSPLCSDSPGISPSGIPKRKTARKQLPKRKLEI... | 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: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MTDFFAGIPQIRYEGEGSSNEFAFRHYNPDEVILGKRMEDHLRFAVAWWHSFAWPGGDPFGGQTFDRPWFGDTLDLAKLKADVAFEMFDILGAPFFCFHDADIRPEGATFAESKRNLEEIVDHIGTRMEGSKTKLLWGTANLFSHRRFMSGAATNPDPDVFAWSAATVKGCMDATMKLGGANYVLWGGREGYETLLNTDL... | 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: 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: MSDNDELQQIAHLRREYTKGGLRRRDLPADPLTLFERWLSQACEAKLADPTAMVVATVDEHDQPYQRIVLLKHYDEKGMVFYTNLGSRKAHQIENNPRVSLLFPWHTLERQVMVIGKAERLSTLEVMKYFHSRPRDSQIGAWVSKQSSRISARGILESKFLELKQKFQQGEVPLPSFWGGFRVSLEQIEFWQGGEHRLHD... | 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. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O | This approved drug compound targets the protein with sequence: MLYFSLFWAARPLQRCGQLVRMAIRAQHSNAAQTQTGEANRGWTGQESLSDSDPEMWELLQREKDRQCRGLELIASENFCSRAALEALGSCLNNKYSEGYPGKRYYGGAEVVDEIELLCQRRALEAFDLDPAQWGVNVQPYSGSPANLAVYTALLQPHDRIMGLDLPDGGHLTHGYMSDVKRISATSIFFESMPYKLNPK... |
Identify the protein target for the following approved drug compound. | Drug SMILES: COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1 | This approved drug compound targets the protein with sequence: MDTKHFLPLDFSTQVNSSLTSPTGRGSMAAPSLHPSLGPGIGSPGQLHSPISTLSSPINGMGPPFSVISSPMGPHSMSVPTTPTLGFSTGSPQLSSPMNPVSSSEDIKPPLGLNGVLKVPAHPSGNMASFTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDNKDCLIDKRQRNRCQYCRYQKCLAMGM... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O | This approved drug compound targets the protein with sequence: MACPLDQAIGLLVAIFHKYSGREGDKHTLSKKELKELIQKELTIGSKLQDAEIARLMEDLDRNKDQEVNFQEYVTFLGALALIYNEALKG |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CCCCSc1ccc(C(=O)C(=O)O)cc1
Protein sequence: MSDKLAARERFLDVFEDLVEELKQILVSYNMPQEAIEWFVRSLNYNTPGGKLNRGLSVVDTFAILNNTTSDKLNDTEYKKVALLGWAIELLQAYFLVADDMMDQSKTRRGQPCWYLVEGVNNIAINDSFMLEGAIYILLKKHFRQDPYYVDLLDLFHEVTFQTELGQLLDLITADEEIVDLDKFSLEKHSFIVIFKTAYY... | Yes, this compound binds to the given protein target. The SMILES structure CCCCSc1ccc(C(=O)C(=O)O)cc1 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CCO | This approved drug compound targets the protein with sequence: MAARGSGPRALRLLLLVQLVAGRCGLAGAAGGAQRGLSEPSSIAKHEDSLLKDLFQDYERWVRPVEHLNDKIKIKFGLAISQLVDVDEKNQLMTTNVWLKQEWIDVKLRWNPDDYGGIKVIRVPSDSVWTPDIVLFDNADGRFEGTSTKTVIRYNGTVTWTPPANYKSSCTIDVTFFPFDLQNCSMKFGSWTYDGSQVDI... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: C=C(Cn1cnc2ccccc2c1=O)C(=O)c1ccc(Cl)cc1
Protein sequence: MKSYLVGGAVRDALLGLPVKDKDWVVVGATPAEMLALGYQQVGKDFPVFLHPQTHEEYALARTERKSGQGYTGFTCYAAPDVTLEQDLQRRDLTINAIAQDDSGEFIDPYHGRDDLKARLLRHVSPAFNEDPLRVLRVARFAARYAHLGFRIAPETLSLMREMAENGELEHLTAERVWKETESALTTRNPQIYFLMLHEC... | Yes, this compound binds to the given protein target. The SMILES structure C=C(Cn1cnc2ccccc2c1=O)C(=O)c1ccc(Cl)cc1 has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | 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: MKQSKKLGQCFLKDKNFVKKAIKSADITENDIVLEVGLGEGALTKELAKLAKFVYVIELDMRLEPFANQIMSEFKNVKVIWNDALKVDLKELGFNKIVANLPYQISSPITFKFLENDFDVAVLMYQYEFAKRMIGKPDTDEYSRLSVSIQYNSDVEFICKVPPTAFSPKPDVNSAIVKLTKREPLFHIENEEFFRNVLNA... | 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: O=C(O)Cc1cccc2c1Cc1c-2nc(O)c2nc(-c3ccc(C(=O)O)cc3)cn12
Protein sequence: MNINAAPQILGRSSQDITPGYMSGFGNSFETEALPGALPVGRNSPQRCAYGLYAEQLSGSPFTAPRGANERSWLYRIRPSVKHSGRFAKTDMGLWRSAPCFEHDLPIAQLRWDPPPMPQEKLTFLQGVRTMTTAGDVNTQAGMATHLYLITQSMVDQHFYNADGEMMFVPQQGSLRLVTEFGIITIEPAEIAVIPRGIKF... | 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. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12
Protein sequence: MTSIRKSHLTLKALNESMIDLPAPKNISAWWNFGSLLSLCLALQILTGLFLAMHYTSDISTAFSSVVHICRDVNYGWLIRSIHANGASFFFICIYLHIGRGLYYGSYLNKEAWSAGVILLLLVMMTAFVGYVLPWGQMSFWGATVITNLLSAIPYVGENIVQWLWGGFSVDSATLTRFFAFHFLFPFGIIAMTLVHLLFL... | 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: NCCN.CN1C2=C(NC=N2)C(=O)N(C)C1=O.CN1C2=C(NC=N2)C(=O)N(C)C1=O | This approved drug compound targets the protein with sequence: MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIY... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [Ag] | This approved drug compound targets the protein with sequence: MDPRECVCMSGGICMCGDNCKCTTCNCKTYWKSCCPCCPPGCAKCARGCICKGGSDKCSCCP |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)=O | This approved drug compound targets the protein with sequence: MWTVQNRESLGLLSFPVMITMVCCAHSTNEPSNMSYVKETVDRLLKGYDIRLRPDFGGPPVDVGMRIDVASIDMVSEVNMDYTLTMYFQQSWKDKRLSYSGIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWNGGEGAV... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21 | This approved drug compound targets the protein with sequence: MVNLRNAVHSFLVHLIGLLVWQSDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKV... |
What is the biological target of this clinically approved compound? | Drug SMILES: CNC(=O)C1=CN(N=C1)C1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(N)=N1 | This approved drug compound targets the protein with sequence: MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRI... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=C(O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O
Protein sequence: MDLNNKIFNILLPIVTVSFLLVFMPFSIFFKLLQFIRGCKESEKVNGKVVIITGSSSGIGEHLAYEYARRGAYLTLVARREDRLQVVADRCRKLGSPDVAVVRGDVSVIKDCKRFVQETISRFGRLDHLVNNAGIAEAKFFEDYSEISDVLPIVNTNFWGPVYATHFAIPHLKKTKGKIIAVASPAGWSGVPRMSIYAAS... | 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. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: O=C(Cc1nc2ccccc2s1)C(F)(F)F
Protein sequence: MFWVLVLLSFIVLIGDGMISEGAGLRPRYVDVGAIFSLGTLQGEVTNIAMKAAEEDVNSDPSFLGGSKLRITTYDAKRNGFLTIMGALQFMETDAVAIIGPQTSIMAHVLSHLANELSVPMLSFTALDPSLSALQFPFFVQTAPSDLFLMRAIAEMISYYGWSEVIALYNDDDNSRNGITALGDELEGRRCKISYKAVLP... | Yes, this compound binds to the given protein target. The SMILES structure O=C(Cc1nc2ccccc2s1)C(F)(F)F has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MKFGIVARRDKEEALKLAYRVYDFLKVSGYDVVVDKDTYEHFPYFNERDVIPLEEFDVDFIIAIGGDGTILRIEHMTKKDIPILSVNMGTLGFLTEVEPSDTFFALSRLIEGEYYIDERIKVRTYINGENRVPDALNEVAILTGIPGKIIHLKYYVDGGLADEVRADGLVVSTPTGSTGYAMSAGGPFVDPRLDVILVVP... | Yes, this compound binds to the given protein target. The SMILES structure COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC(C)NCC(O)C1=CC(O)=C(O)C=C1 | This approved drug compound targets the protein with sequence: MAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIVAIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRVGADAEAQRCHSNPRCCAFAS... |
What is the biological target of this clinically approved compound? | Drug SMILES: [Cu] | This approved drug compound targets the protein with sequence: MKSLVLLLCLAQLWGCHSAPHGPGLIYRQPNCDDPETEEAALVAIDYINQNLPWGYKHTLNQIDEVKVWPQQPSGELFEIEIDTLETTCHVLDPTPVARCSVRQLKEHAVEGDCDFQLLKLDGKFSVVYAKCDSSPDSAEDVRKVCQDCPLLAPLNDTRVVHAAKAALAAFNAQNNGSNFQLEEISRAQLVPLPPSTYVE... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12
Protein sequence: MTNIRKTHPLMKIVNNAFIDLPAPSNISSWWNFGSLLGICLILQILTGLFLAMHYTADTATAFSSVTHICRDVNYGWIIRYMHANGASMFFICLFMHVGRGIYYGSYTFLETWNIGVILLFATMATAFMGYVLPWGQMSFWGATVITNLLSAIPYIGTNLVEWIWGGFSVDKATLTRFFAFHFILPFIIAALATVHLLFL... | 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. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl | This approved drug compound targets the protein with sequence: MTELKAKGPRAPHVAGGPPSPEVGSPLLCRPAAGPFPGSQTSDTLPEVSAIPISLDGLLFPRPCQGQDPSDEKTQDQQSLSDVEGAYSRAEATRGAGGSSSSPPEKDSGLLDSVLDTLLAPSGPGQSQPSPPACEVTSSWCLFGPELPEDPPAAPATQRVLSPLMSRSGCKVGDSSGTAAAHKVLPRGLSPARQLLLPAS... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2 | This approved drug compound targets the protein with sequence: MDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYV... |
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: MLKAVLEPAIGSKSKRDLKDYLPTLRNINKLERWALLLADEDFSKETQKLKYELKSGNSLENILERAFTLSREAARRRLKERPYDVQIIAGLALHEGKIIEMKTGEGKTLSSVQAAYLNSLTGDGVIIVTVNDYLAERDSNWMKPVFDLLGVTVGVVLSNMDYERRKDQYAKDITYVTNNELGFDYLRDNMRYDLNEKCL... | 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. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C
Protein sequence: MRILITNDDGINAPGLEVLAEIAAEIAGPGGEVWTVAPAFEQSGVGHCISYTQPTMIAELGPRRYAAEGSPADCVMAGLYDVMNGDAPDLILSGVNRGNNSGENALYSGTLGGAMEGALQGHKAIALSQYYGPAMATADDPFDAARRHGVAVVRKLLAADQWGGPGYGTFYNVNFPPVLAAGVKGVRAAPQGLRSHARFR... | 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: [Cu] | This approved drug compound targets the protein with sequence: MVRMVPVLLSLLLLLGPAVPQENQDGRYSLTYIYTGLSKHVEDVPAFQALGSLNDLQFFRYNSKDRKSQPMGLWRQVEGMEDWKQDSQLQKAREDIFMETLKDIVEYYNDSNGSHVLQGRFGCEIENNRSSGAFWKYYYDGKDYIEFNKEIPAWVPFDPAAQITKQKWEAEPVYVQRAKAYLEEECPATLRKYLKYSKNI... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MSSQSLYKVSGNIAANALVNNDQYKKMYQESIVNPEGFWREHGKRIDWIKPYTKIKKTSFDDHNLSINWFYDGTLNASANCLDRHLAEHSDRVAIIWEGDNASEQRKITYGELHTQVCKFANALRSQGVRRGDIVTIYMPMVPEAAVAMLACARIGAVHSVVFGGFSPDSIASRVIDGKSKVVITADEGMRGGRAIPLKR... | 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: COc1cccc2[nH]c(C(=O)NCCCCCCC(=O)NO)cc12
Protein sequence: MRSLSIFGATGSIGESTFDLVMRKGGPEAFRTVALTGGRNIRRLAEMARALKAELAVTAHEDCLPALREALAGTGTEVAGGAQAIAEAADRPADWTMSAIVGAAGLVPGMRALKHGRTLALANKESLVTAGQLLMRTARENGATILPVDSEHSAVFQALAGEDTACVERVIITASGGPFRDWSLERIRACTVAEAQAHPN... | Yes, this compound binds to the given protein target. The SMILES structure COc1cccc2[nH]c(C(=O)NCCCCCCC(=O)NO)cc12 has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1 | This approved drug compound targets the protein with sequence: MLASPEPKGLVPFTKESFELIKQHIAKTHNEDHEEEDLKPTPDLEVGKKLPFIYGNLSQGMVSEPLEDVDPYYYKKKNTFIVLNKNRTIFRFNAASILCTLSPFNCIRRTTIKVLVHPFFQLFILISVLIDCVFMSLTNLPKWRPVLENTLLGIYTFEILVKLFARGVWAGSFSFLGDPWNWLDFSVTVFEVIIRYSPLD... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O | This approved drug compound targets the protein with sequence: MAVPARTCGASRPGPARTARPWPGCGPHPGPGTRRPTSGPPRPLWLLLPLLPLLAAPGASAYSFPQQHTMQHWARRLEQEVDGVMRIFGGVQQLREIYKDNRNLFEVQENEPQKLVEKVAGDIESLLDRKVQALKRLADAAENFQKAHRWQDNIKEEDIVYYDAKADAELDDPESEDVERGSKASTLRLDFIEDPNFKNK... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=C(O)Cc1cccc2c1Cc1c-2nc(O)c2nc(-c3ccc(C(=O)O)cc3)cn12
Protein sequence: MGSLKEGQGRDMEEGESEEPLLMAQNQRFTMFPIRYKSIWEMYKKAEASFWTAEEVDLSTDVQQWEALTDSEKHFISHILAFFAASDGIVLENLAARFLNDVQVPEARAFYGFQIAMENIHSEMYSLLLETFIKDSKEKDRLFNAIETIPCISKKAKWCLDWIQSPMSFAVRLVAFACVEGIFFSGSFCAIFWLKKRGLM... | 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. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: ClC1=CC2=C(C=C1)N(CC1CC1)C(=O)CN=C2C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MIITQTSHCYMTSLGILFLINILPGTTGQGESRRQEPGDFVKQDIGGLSPKHAPDIPDDSTDNITIFTRILDRLLDGYDNRLRPGLGDAVTEVKTDIYVTSFGPVSDTDMEYTIDVFFRQTWHDERLKFDGPMKILPLNNLLASKIWTPDTFFHNGKKSVAHNMTTPNKLLRLVDNGTLLYTMRLTIHAECPMHLEDFPM... |
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: MDAPARLLAPLLLLCAQQLRGTRAMNDIGDYVGSNLEISWLPNLDGLIAGYARNFRPGIGGPPVNVALALEVASIDHISEANMEYTMTVFLHQSWRDSRLSYNHTNETLGLDSRFVDKLWLPDTFIVNAKSAWFHDVTVENKLIRLQPDGVILYSIRITSTVACDMDLAKYPMDEQECMLDLESYGYSSEDIVYYWSESQ... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CN(C)CCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C=C2 | This approved drug compound targets the protein with sequence: MLLARMNPQVQPENNGADTGPEQPLRARKTAELLVVKERNGVQCLLAPRDGDAQPRETWGKKIDFLLSVVGFAVDLANVWRFPYLCYKNGGGAFLIPYTLFLIIAGMPLFYMELALGQYNREGAATVWKICPFFKGVGYAVILIALYVGFYYNVIIAWSLYYLFSSFTLNLPWTDCGHTWNSPNCTDPKLLNGSVLGNHT... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MANFTPVNGSSGNQSVRLVTSSSHNRYETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGAFSMNLYTVYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTA... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MADQLTDDQIAEFKEAFSLFDKDGDGCITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLNLMARKMKDTDSEEELKEAFRVFDKDQNGFISAAELRHVMTNLGEKLTDEEVDEMIREADVDGDGQINYEEFVKVMMAK | 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=C(O)COc1ccc(CC2=C(n3ccc4ccccc43)c3ccccc3C(=O)C2=O)cc1
Protein sequence: MHSRLATARLYLCTDARRERGDLADFADAALAGGVDIIQLRDKGSAGEQRFGPLEARDELAACEILADAAARHAAMFAVNDRADIARAARADVLHLGQRDLPVDVARAITGPATLIGQSTHDRDQVSAAAIGAVDYFCVGPCWPTPTKPGRTAPGLDLVRFAADVAGAKPWFAIGGIDGLRLPEVLAAGARRIVVVRAIT... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)COc1ccc(CC2=C(n3ccc4ccccc43)c3ccccc3C(=O)C2=O)cc1 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: OC(=O)CCCC1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MEEPEEPADSGQSLVPVYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYALHKQMRIVKPKVASMEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGYDCPATEGIFDYAAAIGGATITAAQCLIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRRKFERILYVDLDLHHGDGVEDAFSFTSKVMTVSL... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]12CC[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C | This approved drug compound targets the protein with sequence: MTGWSCLVTGAGGFLGQRIIRLLVKEKELKEIRVLDKAFGPELREEFSKLQNKTKLTVLEGDILDEPFLKRACQDVSVIIHTACIIDVFGVTHRESIMNVNVKGTQLLLEACVQASVPVFIYTSSIEVAGPNSYKEIIQNGHEEEPLENTWPAPYPHSKKLAEKAVLAANGWNLKNGGTLYTCALRPMYIYGEGSRFLSA... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CC(C)C(=O)OCOC(=O)C1(C(=O)OCOC(=O)C(C)C)Oc2ccc(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2O1
Protein sequence: MSEKVIDVQDAWRDRALIDEAKYKEMYEASVSGPETFWGEHGKRIDWSTPFSKVKNTSFAPGDVSIKWFEDGKTNVALNCIDRHLATRGDQTAIIWEGDDPNESKHITYRQLHAEVCRMANVLRNRGVGKGDRVTLYLPMIPEAAYAMLACARLGAIHAIVFGGFSPDSLASRIKGCGSKLVITADEGLRGGRKVPLKA... | Yes, this compound binds to the given protein target. The SMILES structure CC(C)C(=O)OCOC(=O)C1(C(=O)OCOC(=O)C(C)C)Oc2ccc(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2O1 has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [Mg++].[O-]C([O-])=O | This approved drug compound targets the protein with sequence: MKPRAECCSPKFWLVLAVLAVSGSRARSQKSPPSIGIAVILVGTSDEVAIKDAHEKDDFHHLSVVPRVELVAMNETDPKSIITRICDLMSDRKIQGVVFADDTDQEAIAQILDFISAQTLTPILGIHGGSSMIMADKDESSMFFQFGPSIEQQASVMLNIMEEYDWYIFSIVTTYFPGYQDFVNKIRSTIENSFVGWELE... |
What is the biological target of this clinically approved compound? | Drug SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O | This approved drug compound targets the protein with sequence: MKLKLNVLTIILLPVHLLITIYSALIFIPWYFLTNAKKKNAMAKRIKAKPTSDKPGSPYRSVTHFDSLAVIDIPGADTLDKLFDHAVSKFGKKDSLGTREILSEENEMQPNGKVFKKLILGNYKWMNYLEVNRRVNNFGSGLTALGLKPKNTIAIFCETRAEWMIAAQTCFKYNFPLVTLYATLGKEAVVHGLNESEASY... |
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: MRGLKTLSKRYLFTSESVTEGHPDKVCDQISDTILDALLTLDPNSRVAAETVVNTGLTLVTGEITSQAHINFVELIRQKIAEIGYTNADNGYSANSCAVMLAIDEQSPDISQGVTAAQEQRHALSDDELDKIGAGDQGLMFGYACNETPELMPLPISLAHRIALRLSEVRKSGQLAYLRPDGKTQVSILYEDGSPVAIDT... | 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. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CC(C[N+](C)(C)C)OC(N)=O | This approved drug compound targets the protein with sequence: MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLP... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C
Protein sequence: MAQKPRTVICVGDIHGYISKLNNLWLNLQSAIDPSDFSSALVIFLGDYCDRGPETRKVIDFLISLPEKHPDQTHVFLAGNHDFAFSGFLGLLPRPSDGSDLKDTWKEYSKSEETEGWYTGEGFEDMHLQGRRWAGKIKATFNSVKGMAYKGSIYDAGSTFESYGVPHGSSDLMKAVPESHKKFLTNMVWVHEEDDVCIET... | 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@@]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: MEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCML... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]1(CCCCN1C(=O)OC[N+]1=CC=CC(=C1)C(=O)N[C@@H](CO)C([O-])=O)[C@H](C(=O)OC)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MLLARMNPQVQPENNGADTGPEQPLRARKTAELLVVKERNGVQCLLAPRDGDAQPRETWGKKIDFLLSVVGFAVDLANVWRFPYLCYKNGGGAFLIPYTLFLIIAGMPLFYMELALGQYNREGAATVWKICPFFKGVGYAVILIALYVGFYYNVIIAWSLYYLFSSFTLNLPWTDCGHTWNSPNCTDPKLLNGSVLGNHT... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: COC(=O)c1c(C)nc2c(c1N)c1ccccc1n2C(=O)OC
Protein sequence: MSIEIKNTGVKKVVLAYSGGLDTSAIIPWLKENYDNCEIIAFCADVGQGEEELVGLTEKALASGASECHIVDLKEEFVKEYIYPTIASGAIYEGTYLLGTSMARPIIAKAQVEVARKVGADALCHGCTGKGNDQVRFEGCFAALAPDLKVIAPWREWTMQSREDLLAYLAERDIKTSASATKIYSRDANAFHISHEGGEL... | Yes, this compound binds to the given protein target. The SMILES structure COC(=O)c1c(C)nc2c(c1N)c1ccccc1n2C(=O)OC has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CNC1(CCCCC1=O)C1=CC=CC=C1Cl | This approved drug compound targets the protein with sequence: MALSYRVSELQSTIPEHILQSTFVHVISSNWSGLQTESIPEEMKQIVEEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIMHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIETDVD... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1 | This approved drug compound targets the protein with sequence: MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTK... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MYPLLENINSPADLRLLPRTQLPQLAGELREFLVESVSKTGGHFASNLGSIELTIALHYVFDTPHDRLVWDVGHQTYPHKILTGRRERMHTMRQHNGLAGFPKREESEYDTFGVGHSSTSIGAALGMAVAAKTLGVDRKSVAIIGDGAMTAGQAFEALNNAGAMDTDLLVILNDNDMSISPNVGALNNYLAKLMSGRFYA... | 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: COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O
Protein sequence: MNEMKFLQHLKEKGFELTDEQQKQFAIYYETLVEWNEKINLTAVTEKEEVYLKHFFDSITPSFYFDFNKVKSICDVGAGAGFPSIPLKILYPHLEITIVDSLNKRINFLNHLSAELNLTNCHFVHDRAETFGKGEYRESFDVVTARAVARLSVLSELCLPLVKKGGHFIALKGAQGEIEVEEGLFAISILGGAVVENHPL... | 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. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: N1N=CC=CC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MASSLPWLCIILWLENALGKLEVEGNFYSENVSRILDNLLEGYDNRLRPGFGGAVTEVKTDIYVTSFGPVSDVEMEYTMDVFFRQTWTDERLKFGGPTEILSLNNLMVSKIWTPDTFFRNGKKSIAHNMTTPNKLFRIMQNGTILYTMRLTINADCPMRLVNFPMDGHACPLKFGSYAYPKSEIIYTWKKGPLYSVEVPE... |
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: MTETPTGTQSSRETAADDTPRHRYTAGLAGEIERAWQQRWTQDGTFDVANPVGSLAPADGSAVPADKMFVQDMFPYPSGEGLHVGHPLGYIATDVYARYYRMTGRNVLHALGFDAFGLPAEQYAIQTGTHPRTRTEANIVNFRRQLGRLGLGHDSRRSFSTTDVDFYKWTQWIFLQIYNAWFDTAQNKARPVAELIAEFE... | 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: O=C(NC1CCN(CCC2=CNC3=C2C=CC=C3)CC1)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAII... |
Describe the drug-target relationship for the following approved small molecule. | 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: MSWSPSLTTQTCGAWEMKERLGTGGFGNVIRWHNQETGEQIAIKQCRQELSPRNRERWCLEIQIMRRLTHPNVVAARDVPEGMQNLAPNDLPLLAMEYCQGGDLRKYLNQFENCCGLREGAILTLLSDIASALRYLHENRIIHRDLKPENIVLQQGEQRLIHKIIDLGYAKELDQGSLCTSFVGTLQYLAPELLEQQKYT... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O | This approved drug compound targets the protein with sequence: MDAPARLLAPLLLLCAQQLRGTRAMNDIGDYVGSNLEISWLPNLDGLIAGYARNFRPGIGGPPVNVALALEVASIDHISEANMEYTMTVFLHQSWRDSRLSYNHTNETLGLDSRFVDKLWLPDTFIVNAKSAWFHDVTVENKLIRLQPDGVILYSIRITSTVACDMDLAKYPMDEQECMLDLESYGYSSEDIVYYWSESQ... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H]C(=O)[C@H](O)[C@@H](O)[C@]([H])(O[C@@]1([H])O[C@H](CO)[C@@]([H])(O[C@H]2O[C@H](C)[C@@H](N[C@@]3([H])C=C(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO | This approved drug compound targets the protein with sequence: MGVRHPPCSHRLLAVCALVSLATAALLGHILLHDFLLVPRELSGSSPVLEETHPAHQQGASRPGPRDAQAHPGRPRAVPTQCDVPPNSRFDCAPDKAITQEQCEARGCCYIPAKQGLQGAQMGQPWCFFPPSYPSYKLENLSSSEMGYTATLTRTTPTFFPKDILTLRLDVMMETENRLHFTIKDPANRRYEVPLETPHV... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C | This approved drug compound targets the protein with sequence: MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYSPAVMNYSIPSNVTNLEGGPGRQTTSPNVLWPTPGHLSPLVVHRQLSHLYAEPQKSPWCEARSLEHTLPVNRETLKRKVSGNRCASPVTGPGSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDYICPATNQCTIDKNRRKS... |
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: MSNKVHLGHTARKRFGQNFLTDGNVIDRIVGAIAPDNHHVMVEIGPGLGALTEPVAEAVDNLTVVELDRDLVERLHHHPVLKDKLTIHQGDALQFDFGQLSVPGKKMKVFGNLPYNISTPLMFHLFEFAEQIETMHFMLQKEVVLRLSASPGCKAYGRLTVMAQYFCQVVPVLEVPPHSFTPAPKVDSAVVRLLPYAVKP... | 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: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MEQTFFIIKPDGVKRGLVGEVLKRIEQRGFTIEKLEFRSQVSEELIDQHYQDLVGQSFYPPIREFMTSGPVLVGVISGPKVIETWRTMMGATRPEEALPGTIRGDFAKAAGENEIIQNVVHGSDSEESAKREIALWF | 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. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: NC(=O)C([C@@H]1CCN(CCC2=CC3=C(OCC3)C=C2)C1)(C1=CC=CC=C1)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVI... |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MKVARFQKIPNGENETMIPVLTSKKASELPVSEVASILQADLQNGLNKCEVSHRRAFHGWNEFDISEDEPLWKKYISQFKNPLIMLLLASAVISVLMHQFDDAVSITVAILIVVTVAFVQEYRSEKSLEELSKLVPPECHCVREGKLEHTLARDLVPGDTVCLSVGDRVPADLRLFEAVDLSIDESSLTGETTPCSKVTA... | 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. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CN1C=CNC1=S | This approved drug compound targets the protein with sequence: MRALAVLSVTLVMACTEAFFPFISRGKELLWGKPEESRVSSVLEESKRLVDTAMYATMQRNLKKRGILSPAQLLSFSKLPEPTSGVIARAAEIMETSIQAMKRKVNLKTQQSQHPTDALSEDLLSIIANMSGCLPYMLPPKCPNTCLANKYRPITGACNNRDHPRWGASNTALARWLPPVYEDGFSQPRGWNPGFLYNGF... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: OC(=O)C1=CC=CC=C1O | This approved drug compound targets the protein with sequence: MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFLTRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADYGYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGSNMMFAFFAQHFTHQFFKTDH... |
What is the biological target of this clinically approved compound? | Drug SMILES: COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2 | This approved drug compound targets the protein with sequence: MPGKMVVILGASNILWIMFAASQAFKIETTPESRYLAQIGDSVSLTCSTTGCESPFFSWRTQIDSPLNGKVTNEGTTSTLTMNPVSFGNEHSYLCTATCESRKLEKGIQVEIYSFPKDPEIHLSGPLEAGKPITVKCSVADVYPFDRLEIDLLKGDHLMKSQEFLEDADRKSLETKSLEVTFTPVIEDIGKVLVCRAKLH... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CC/N=C(\N)Nc1nc2nc(NCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl
Protein sequence: MSLDIAKYPTLALAENPEELRMLPKESLPKLCDELRQYLLTCVSRSSGHFASGLGVVELTVALHYVYNTPFDHLIWDVGHQAYPHKILTGRRDRISTIRQKDGLHPFPWRGESEYDVLSVGHSSTSISAGLGMAVAAEREGKGRRTVCVIGDGAITAGMAFEAMSHAGDIHSDMLVILNDNGMSISENVGGLNNHLAQLL... | 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: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MLRAQRLRLARLRACVSRGLHHKPVMALRREDVNAWERRAPLAPKHIKGITKLGYKVLIQPSNRRAIHDKEYVRAGGILQEDITEACLILGVKRPPEEKLMSKKTYAFFSHTIKAQEANMSLLDEVLKQEIRLIDYEKMVDHRGSRIVAFGHWAGVAGMINILHGMGLRLLALGHHTPFMHLGMAHNYRNSSQAVQAVRD... | Yes, this compound binds to the given protein target. The SMILES structure COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MKALSKLKAEEGIWMTDVPVPEVGHNDLLIKIRKTAICGTDVHIYNWDEWSQKTIPVPMVVGHEYVGEVVGIGQEVKGFRIGDRVSGEGHITCGHCRNCRGGRTHLCRNTLGVGVNRPGCFAEYLVLPAFNAFKIPDNISDDLASIFDPFGNAVHTALSFDLVGEDVLVSGAGPIGIMAAAVAKHVGARHVVITDVNEYR... | Yes, this compound binds to the given protein target. The SMILES structure COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=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: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MKRSVAVWLLVGLSLGVPQFGKGDICDPNPCENGGICLPGLADGSFSCECPDGFTDPNCSSVVEVASDEEEPTSAGPCTPNPCHNGGTCEISEAYRGDTFIGYVCKCPRGFNGIHCQHNINECEVEPCKNGGICTDLVANYSCECPGEFMGRNCQYKCSGPLGIEGGIISNQQITASSTHRALFGLQKWYPYYARLNKKG... | 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. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CCCCn1c(N(C)C2CCN(CCc3ccccc3)CC2)nc2ccccc21
Protein sequence: MAVAVEGARRKERILCLFDVDGTLTPARQKIDPEVSAFLQKLRSRVQIGVVGGSDYSKIAEQLGEGDEVIEKFDYVFAENGTVQYKHGRLLSKQTIQNHLGEELLQDLINFCLSYMALLRLPKKRGTFIEFRNGMLNVSPIGRSCTLEERIEFSELDKKEKIREKFVEALKTEFAGKGLRFSRGGMISFDVFPEGWDKRY... | Yes, this compound binds to the given protein target. The SMILES structure CCCCn1c(N(C)C2CCN(CCc3ccccc3)CC2)nc2ccccc21 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@@]12CC3=C(C(O)=CC=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2 | This approved drug compound targets the protein with sequence: MSLWQPLVLVLLVLGCCFAAPRQRQSTLVLFPGDLRTNLTDRQLAEEYLYRYGYTRVAEMRGESKSLGPALLLLQKQLSLPETGELDSATLKAMRTPRCGVPDLGRFQTFEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQG... |
Identify the protein target for the following approved drug compound. | Drug SMILES: NS(=O)(=O)C1=CC2=C(C=C1Cl)N=C(CSCC1=CC=CC=C1)NS2(=O)=O | This approved drug compound targets the protein with sequence: MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLT... |
Identify the protein target for the following approved drug compound. | Drug SMILES: COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1CCCO1 | This approved drug compound targets the protein with sequence: MPPSGLRLLPLLLPLLWLLVLTPGRPAAGLSTCKTIDMELVKRKRIEAIRGQILSKLRLASPPSQGEVPPGPLPEAVLALYNSTRDRVAGESAEPEPEPEADYYAKEVTRVLMVETHNEIYDKFKQSTHSIYMFFNTSELREAVPEPVLLSRAELRLLRLKLKVEQHVELYQKYSNNSWRYLSNRLLAPSDSPEWLSFDV... |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MSDSKEPRLQQLGLLEEEQLRGLGFRQTRGYKSLAGCLGHGPLVLQLLSFTLLAGLLVQVSKVPSSISQEESRQDVIYQNLTQLKAAVGELSEKSKLQEIYQELTQLKAAVGELPEKSKQQEIYQELTRLKAAVGELPEKSKMQEIYQELTRLKAAVGELPEKSKMQEIYQELTRLKAAVGELPEKSKQQEIYQELTRLK... | 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: CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12
Protein sequence: MAMNIRKTHPLIKIVNNSLIDLPTPSNISIWWNFGSLLGLCLIIQILTGLFLAMHYTADISSAFSSVAHICRDVNYGWLIRNTHANGASMFFICVYLHIARGLYYGSYLNKETWNIGVIILLLLMATAFVGYVLPWGQMSFWGATVITNLLSALPYIGDMLVQWIWGGFSVDSATLTRFFTFHFLLPFVIVALTMVHLLF... | 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: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MNNQPVILAIDQGTTSTRAILFSATLEILAVQQKELKLHYPHKGWVEQNPEAIWQDTLEVCHAVLEHNVSMVGSVAAIGITNQRETTILWDRKTGKPVYPAIVWQDRRTDIGCEQLKAQGYEPMVTARTGLLFDPYFSATKIAWILDNVEGVRSRAMRGELAFGTVDCYLLWHLTGGKVHATDVTNAARTLLFNIVEQKW... | 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: CCN(CC)CCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F | This approved drug compound targets the protein with sequence: MIITQTSHCYMTSLGILFLINILPGTTGQGESRRQEPGDFVKQDIGGLSPKHAPDIPDDSTDNITIFTRILDRLLDGYDNRLRPGLGDAVTEVKTDIYVTSFGPVSDTDMEYTIDVFFRQTWHDERLKFDGPMKILPLNNLLASKIWTPDTFFHNGKKSVAHNMTTPNKLLRLVDNGTLLYTMRLTIHAECPMHLEDFPM... |
What is the biological target of this clinically approved compound? | Drug SMILES: CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1Cl | This approved drug compound targets the protein with sequence: MVSAKKVPAIALSAGVSFALLRFLCLAVCLNESPGQNQKEEKLCTENFTRILDSLLDGYDNRLRPGFGGPVTEVKTDIYVTSFGPVSDVEMEYTMDVFFRQTWIDKRLKYDGPIEILRLNNMMVTKVWTPDTFFRNGKKSVSHNMTAPNKLFRIMRNGTILYTMRLTISAECPMRLVDFPMDGHACPLKFGSYAYPKSEM... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MTNPDSPSLSLTPPEALSPAEARAELERLASRIAELDDAYYRDDAPLVTDADYDALRQRNAEIERLFPDAILKNSPANRVGTAPSSAFAKIRHRVPMLSLDNVFDTEEFAEFCARARRFLNLPASPRFVAEPKIDGLSISLTYENGILTRAATRGDGMEGEDVTANVRTLRDVPQTLHGEAPAFIEIRGEVFMSKAAFLE... | Yes, this compound binds to the given protein target. The SMILES structure COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][N]([H])([H])[Pt](Cl)(Cl)[N]([H])([H])[H] | This approved drug compound targets the protein with sequence: MGKNKLLHPSLVLLLLVLLPTDASVSGKPQYMVLVPSLLHTETTEKGCVLLSYLNETVTVSASLESVRGNRSLFTDLEAENDVLHCVAFAVPKSSSNEEVMFLTVQVKGPTQEFKKRTTVMVKNEDSLVFVQTDKSIYKPGQTVKFRVVSMDENFHPLNELIPLVYIQDPKGNRIAQWQSFQLEGGLKQFSFPLSSEPFQ... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MMEFFPEIPKIQFEGKESTNPLAFKFYDPNEVIDGKPLKDHLKFSVAFWHTFVNEGRDPFGDPTAERPWNRFSDPMDKAFARVDALFEFCEKLNIEYFCFHDRDIAPEGKTLRETNKILDKVVERIKERMKDSNVKLLWGTANLFSHPRYMHGAATTCSADVFAYAAAQVKKALEITKELGGEGYVFWGGREGYETLLNT... | 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: CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1 | This approved drug compound targets the protein with sequence: MQRGAALCLRLWLCLGLLDGLVSGYSMTPPTLNITEESHVIDTGDSLSISCRGQHPLEWAWPGAQEAPATGDKDSEDTGVVRDCEGTDARPYCKVLLLHEVHANDTGSYVCYYKYIKARIEGTTAASSYVFVRDFEQPFINKPDTLLVNRKDAMWVPCLVSIPGLNVTLRSQSSVLWPDGQEVVWDDRRGMLVSTPLLHD... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21 | This approved drug compound targets the protein with sequence: MLLARMNPQVQPENNGADTGPEQPLRARKTAELLVVKERNGVQCLLAPRDGDAQPRETWGKKIDFLLSVVGFAVDLANVWRFPYLCYKNGGGAFLIPYTLFLIIAGMPLFYMELALGQYNREGAATVWKICPFFKGVGYAVILIALYVGFYYNVIIAWSLYYLFSSFTLNLPWTDCGHTWNSPNCTDPKLLNGSVLGNHT... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: Cc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)ccnc12
Protein sequence: MIEALLVATGGFFGAITRFTISNWFKKRNKTSFPIATFLINITGAFLLGYIIGNGVTTGWQLLLGTGFMGAFTTFSTFKLESVQLLNRKNFSTFLLYLSATYIVGILFAFLGMKLGGI | Yes, this compound binds to the given protein target. The SMILES structure Cc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)ccnc12 has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: COC1=CC=C(C=C1)C1=C(OC2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2 | This approved drug compound targets the protein with sequence: MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVW... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MPIQPFDQREWNEPMHSLRISVGGLPVLASMTKATDPRFRPRWRVILTSFVGAALLWLLYSHHQTPVSGRPPIHNAHNWRLRQERISQYNDTYPLSPPQRTPGGIRYRIAVIADLDTGSKAQEENTWFSYLKKGYLTLSDSGDRVSVEWDKDRGVLESHLAEKGRGMELSDLIVFNGKLYSVDDRTGVIYQIEGTKAVPW... | 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=C(O)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO
Protein sequence: MSAILHLRAETKPMEARAALTPTTVRTLVSHGFKIYVEESAQSVFEAAEYAAAGAEVVATGSWRGAPRERIIVGLKELPEEDTFPLEHTHIQFAHCYKNQSGWREVLGRFQSGGGLLYDLEFLQDDRGRRVAAFGYYAGFAGAALGLRDWAWKQTHTDAEDLPAVAPYENEQALVSEVAAACEEAYKKGARKPRVLVIGA... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CN1CCC(CC1)=C1C2=CC=CC=C2CCC2=C1N=CC=C2 | This approved drug compound targets the protein with sequence: MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFY... |
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: MFAQALHWLTTSKLRYALALPFLFFILYTKTKKSKEQELENYIFSLPREKLDQIRGKPDEVINVIDEYVEQGHFLMNIGKLKGKIISEKIQQVKPKVMIELGGYVGYSAILFGKQLTDPSAHYYSLEVNPKFAKIASKIIDLAGLSNKVTIIVGKATDSLVELRRSLPNVIPSFEYLDFVFIDHWKDLYVPDLRVMETLD... | 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. |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.