instruction stringclasses 8
values | input stringlengths 16 761 | output stringlengths 112 280 |
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What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC | This approved drug compound targets the protein with sequence: MDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQGPQPRGRPQCKLNQEAWYILASSIGSFFAPCLIMILVYLRIYLIAK... |
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: MPDIKLFTGNATPELAKRISERLYLSLGDATVGRFSDGEIQVQINENVRGSDVFIIQSTCAPTNDNLMELIVMVDALRRASAGRITAVIPYFGYARQDRRVRSARVPITAKVVADFLSSVGVDRVLTCDLHAEQIQGFFDVPVDNVFGSPVLVHDMLKKIDMQNPIVVSPDIGGVVRARAIAKLLNDTDMAIIDKRRPRA... | 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. |
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: MKILVVNCGSSSVKYQFIDMKGEKVLCKGLAERVGIEGSRLVHKVNEDKHVIEKPMKDHEEALKLILETLLDREIGVIRDLSEISAVGHRVVHGAERFASSILIDEEVMKVLEENIHLAPLHNPPNIMGIKAVQKLLPQVPNVGVFDTAFHQSMPRKAFLYPLPYEFYEKYRIRRYGFHGTSHRYVSKRAAEILGRDYYD... | 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: [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C | This approved drug compound targets the protein with sequence: MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEM... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MKKFFIIGTDTEVGKTYISTKLIEVCEHQNIKSLCLKPVASGQSQFSELCEDVESILNAYKHKFTAAEINLISFNQAVAPHIIAAKTKVDISIGNLKQFIENKYNQDLDILFIEGAGGLLTPYSDHTTQLDLIKALEIPVILVSAIKVGCINHTLLTINELGRHNIKLAGWIANCNDSNIKYTDEQISTIEELSGYKCST... | 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: 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: MSNICQRLWEYLEPYLPCLSTEADKSTVIENPGALCSPQSQRHGHYFVALFDYQARTAEDLSFRAGDKLQVLDTLHEGWWFARHLEKRRDGSSQQLQGYIPSNYVAEDRSLQAEPWFFGAIGRSDAEKQLLYSENKTGSFLIRESESQKGEFSLSVLDGAVVKHYRIKRLDEGGFFLTRRRIFSTLNEFVSHYTKTSDGL... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CN1C2=C(N(CC(O)CO)C=N2)C(=O)N(C)C1=O | This approved drug compound targets the protein with sequence: MEPPTVPSERSLSLSLPGPREGQATLKPPPQHLWRQPRTPIRIQQRGYSDSAERAERERQPHRPIERADAMDTSDRPGLRTTRMSWPSSFHGTGTGSGGAGGGSSRRFEAENGPTPSPGRSPLDSQASPGLVLHAGAATSQRRESFLYRSDSDYDMSPKTMSRNSSVTSEAHAEDLIVTPFAQVLASLRSVRSNFSLLTN... |
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: MLRHIVLVGMMGAGKTTVGLWLSKAKSIPFYDLDQLIEGKERATIPEIFASKGVEYFREQEREIVKQVAYSSPGIVATGGGTLLNPSNLWLLKRYGRLFYLQASLDLLWTRLKNKTDRPLLLGKEPKVILEKLLKEREVLYKQADIEIAVDGRTVEELGELLWSYWETMEKTDPR | 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: COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O
Protein sequence: METPHIPVLLEEVLESFSRVPEGYFVDCTLGYAGHSSEILKRYDHLKHIGIDRDDEALAFSKKRLEPFRDRSTLYKGTFATVLPTLKEAPVTALLADFGVSSLQLDKKERGFAFDSETLDMRMDANAPLSAYEVVNTYPKEKLEYIFDTYGEVRSYKKLASAVVDARAKAPIESAKALSEIAKGVIPPGGKIHPATLMFQ... | 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 this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: NC(=O)N1C2=CC=CC=C2CC(=O)C2=C1C=CC=C2 | This approved drug compound targets the protein with sequence: MPGAGDGGKAPARWLGTGLLGLFLLPVTLSLEVSVGKATDIYAVNGTEILLPCTFSSCFGFEDLHFRWTYNSSDAFKILIEGTVKNEKSDPKVTLKDDDRITLVGSTKEKMNNISIVLRDLEFSDTGKYTCHVKNPKENNLQHHATIFLQVVDRLEEVDNTVTLIILAVVGGVIGLLILILLIKKLIIFILKKTREKKKE... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MSDNPQEYELDWDVEKRLKLNDAGLVPAIVQADGTNEVLMMAWMDTHALAYTLATRRGTYFSRSRNEYWIKGLTSGNVQEVTGLALDCDGDTVLLTVKQTGGACHTGAHTCFDNDVLL | 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: C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C | This approved drug compound targets the protein with sequence: MAKTVAYFYDPDVGNFHYGAGHPMKPHRLALTHSLVLHYGLYKKMIVFKPYQASQHDMCRFHSEDYIDFLQRVSPTNMQGFTKSLNAFNVGDDCPVFPGLFEFCSRYTGASLQGATQLNNKICDIAINWAGGLHHAKKFEASGFCYVNDIVIGILELLKYHPRVLYIDIDIHHGDGVQEAFYLTDRVMTVSFHKYGNYFF... |
Does the following compound bind to the given protein target? | Compound SMILES: COc1cccc2[nH]c(C(=O)NCCCCCCC(=O)NO)cc12
Protein sequence: MQNMVILGATGSIGASTLSVISANPDAYRVYALVANASVDKMLALCVTHRPQVAHMVDSQAALALQAKLPPELNIQVTSGEDELIALVTATEVDTVMAAIVGAAGLVPTLAAVKAGKRVLLANKEALVMSGELFIEATKASGATLLPVDSEHNAIFQCLPEEVQANLGRCDLAASGISHILLTGSGGPFLTAELASLASM... | 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. |
Does the following compound bind to the given protein target? | Compound SMILES: COc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(O)n2)cc1
Protein sequence: MLHMGRKRVSVFGSTGCIGQKAVQILRDNPDDFEVVALVAKQDAHLLASQARLLSANMAVVAEDAAYETLRELLRGTCVEVGAGTAGVMDAASRDVDSAVMAITGIAALHPVIRLIKSGVKSIALANKESVVCGGELLINAAKQTGVNIVPVDSEHNAVFQILAHDGCVARVTLTASGGPFLRWTREQMQAVTPSDALAH... | Yes, this compound binds to the given protein target. The SMILES structure COc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(O)n2)cc1 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved 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: MPPGVDCPMEFWTKEENQSVVVDFLLPTGVYLNFPVSRNANLSTIKQLLWHRAQYEPLFHMLSGPEAYVFTCINQTAEQQELEDEQRRLCDVQPFLPVLRLVAREGDRVKKLINSQISLLIGKGLHEFDSLCDPEVNDFRAKMCQFCEEAAARRQQLGWEAWLQYSFPLQLEPSAQTWGPGTLRLPNRALLVNVKFEGSE... |
Identify the protein target for the following approved drug compound. | Drug SMILES: [Zn] | This approved drug compound targets the protein with sequence: MSVRYSSSKHYSSSRSGGGGGGGGCGGGGGVSSLRISSSKGSLGGGFSSGGFSGGSFSRGSSGGGCFGGSSGGYGGLGGFGGGSFRGSYGSSSFGGSYGGIFGGGSFGGGSFGGGSFGGGGFGGGGFGGGFGGGFGGDGGLLSGNEKVTMQNLNDRLASYLDKVRALEESNYELEGKIKEWYEKHGNSHQGEPRDYSKYY... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12
Protein sequence: MTIMRKSHPLMKIVNHAFIDLPTPPNISGWWNFGSLLGLCLILQILTGLFLAMHYTSDTLTAFSSVMHTCRDVNYGWLIRHMHANGASLFFICLYIHIGRGIYYGSYLYKETWNIGILLLFLTMATAFVGYVLPWGQMSFWGATVITNLLSAIPYIGQDLVEWIWGGFSVDKATLTRFFAFHFILPFIITALAMVHLLFL... | 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 a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: O=CCC(CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1
Protein sequence: MSGGFELQPQDGGPRVALAPGETVIGRGPLLGLHRNPCYYQSSEKSQLLPLKTNIWCWLNPGDHFSLLVDKYIFCVLSTHSEMEMECTLRNSQMLDEDDILNEIPKSSSADLPDKTPSAPRRERSTETAKPQAAANNMSFIGESRDLSKQQPNPSERKRILPAWMLTENSSDQNLSVISGGNNVTWESEKERVCKDKTQV... | Yes, this compound binds to the given protein target. The SMILES structure O=CCC(CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 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(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: MEKYHVLEMIGEGSFGRVYKGRRKYSAQVVALKFIPKLGRSEKELRNLQREIEIMRGLRHPNIVHMLDSFETDKEVVVVTDYAEGELFQILEDDGKLPEDQVQAIAAQLVSALYYLHSHRILHRDMKPQNILLAKGGGIKLCDFGFARAMSTNTMVLTSIKGTPLYMSPELVEERPYDHTADLWSVGCILYELAVGTPPF... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CCCN(CCC1=CC=CS1)[C@H]1CCC2=C(O)C=CC=C2C1 | This approved drug compound targets the protein with sequence: MASLSQLSGHLNYTCGAENSTGASQARPHAYYALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLP... |
What is the biological target of this clinically approved compound? | Drug SMILES: NS(=O)(=O)CC1=NOC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MHRDAWLPRPAFSLTGLSLFFSLVPPGRSMEVTVPATLNVLNGSDARLPCTFNSCYTVNHKQFSLNWTYQECNNCSEEMFLQFRMKIINLKLERFQDRVEFSGNPSKYDVSVMLRNVQPEDEGIYNCYIMNPPDRHRGHGKIHLQVLMEEPPERDSTVAVIVGASVGGFLAVVILVLMVVKCVRRKKEQKLSTDDLKTEE... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC1=CC=C(\C=C2/C3CCC(C)(C2=O)C3(C)C)C=C1 | This approved drug compound targets the protein with sequence: MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYSPAVMNYSIPSNVTNLEGGPGRQTTSPNVLWPTPGHLSPLVVHRQLSHLYAEPQKSPWCEARSLEHTLPVNRETLKRKVSGNRCASPVTGPGSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDYICPATNQCTIDKNRRKS... |
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: MRDKLFYFLSKYNFSPRDKIGQNFLIMRDVIIKAVETSEIKKSDVVLEVGPGFGFLTDELSKRAGKVYAIELDKRIIEILENEYNWENVEIIQGDAVKIEWPEFNKVVSNIPYQISSPFTFKLLKHDFEKAVVMYQLEFAKRMVAKPGDRNYSRLSLMVNALANAKIVMKIGRGAFYPKPKVDSALVLIVPKPKDERIEL... | 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 this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@](C)(O)CC[C@]12C | This approved drug compound targets the protein with sequence: MSSPNIWSTGSSVYSTPVFSQKMTVWILLLLSLYPGFTSQKSDDDYEDYASNKTWVLTPKVPEGDVTVILNNLLEGYDNKLRPDIGVKPTLIHTDMYVNSIGPVNAINMEYTIDIFFAQTWYDRRLKFNSTIKVLRLNSNMVGKIWIPDTFFRNSKKADAHWITTPNRMLRIWNDGRVLYTLRLTIDAECQLQLHNFPMD... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N | This approved drug compound targets the protein with sequence: MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSN... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | 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: MGKVNVAKLRYMSRDDFRVLTAVEMGMKNHEIVPGSLIASIASLKHGGCNKVLRELVKHKLIAWERTKTVQGYRLTNAGYDYLALKTLSSRQVVESVGNQMGVGKESDIYIVANEEGQQFALKLHRLGRTSFRNLKNKRDYHKHRHNVSWLYLSRLSAMKEFAYMKALYERKFPVPKPIDYNRHAVVMELINGYPLCQIH... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O | This approved drug compound targets the protein with sequence: MGMSKSHSFFGYPLSIFFIVVNEFCERFSYYGMRAILILYFTNFISWDDNLSTAIYHTFVALCYLTPILGALIADSWLGKFKTIVSLSIVYTIGQAVTSVSSINDLTDHNHDGTPDSLPVHVVLSLIGLALIALGTGGIKPCVSAFGGDQFEEGQEKQRNRFFSIFYLAINAGSLLSTIITPMLRVQQCGIHSKQACYPL... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: COC1=CC(C(O)C(C)N)=C(OC)C=C1 | This approved drug compound targets the protein with sequence: MTFRDLLSVSFEGPRPDSSAGGSSAGGGGGSAGGAAPSEGPAVGGVPGGAGGGGGVVGAGSGEDNRSSAGEPGSAGAGGDVNGTAAVGGLVVSAQGVGVGVFLAAFILMAVAGNLLVILSVACNRHLQTVTNYFIVNLAVADLLLSATVLPFSATMEVLGFWAFGRAFCDVWAAVDVLCCTASILSLCTISVDRYVGVRH... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O | This approved drug compound targets the protein with sequence: MALLHSGRVLPGIAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENSEVLKSGRFVTVQTISGTGALRIGASFLQRFFKFSRDVFLPKPTWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFTGAVEDISK... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C
Protein sequence: MPFELPQQPAPELPERWCVFNGSLLWLQDNQLPAQPPAGCALTGQRFLGIHEGSNLFLADLVGDMPAQAGEWLPLRPALLAMPMAQVQAAARAAQLRQFFHSHRFCGHCATPLAVSADQLGRHCPSCGQVYYPRISPAMMVLVRRGRELLLARSPHFAPGMYSALAGFVEPGETLEECVHRETWEEVGVKVKNLRYAFSQ... | 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: 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: MTQSFPNETTLNDGAKRLENEGSGNFEESPAKRIKLDKPENPIHAQPENNGAQRKKGTAPIREEYLVRSGQEPSVKQTSDVRDDDEAEAARHQERAGEKGGKQRKKQKGQNTARKFGKSQDEKGLCQSVSHSPELSPRTCQFGDNCRFEHNLRKYLKEYKREDLKTFNGMCPVWDAYGLCFSGWKCRFVGSHMTERELED... | 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. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: O=C(CC(NC(=O)c1ccccc1)c1ccccc1)Oc1ccc([N+](=O)[O-])cc1
Protein sequence: MKVVEVKHPLIRHKVGLMREADISTKRFRELATEVGSLLTYEATSDFETEKVTIEGWNGPVEIDQIKGKKVTVVPILRAGLGMMDGVLEHIPSARISVVGIYRDEETLEPVPYFEKIVSNVEERIALVVDPMLATGGSMIATIDLLKSKGCTSIKALVLVAAPEGIAALEKAHPDIELYTASIDKCLNEQGYILPGLGDA... | Yes, this compound binds to the given protein target. The SMILES structure O=C(CC(NC(=O)c1ccccc1)c1ccccc1)Oc1ccc([N+](=O)[O-])cc1 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)OC(F)(F)C(F)Cl | This approved drug compound targets the protein with sequence: MAAGCLLALTLTLFQSLLIGPSSEEPFPSAVTIKSWVDKMQEDLVTLAKTASGVNQLVDIYEKYQDLYTVEPNNARQLVEIAARDIEKLLSNRSKALVRLALEAEKVQAAHQWREDFASNEVVYYNAKDDLDPEKNDSEPGSQRIKPVFIEDANFGRQISYQHAAVHIPTDIYEGSTIVLNELNWTSALDEVFKKNREED... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CN(C)CC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYST... |
Identify the protein target for the following approved drug compound. | Drug SMILES: O=C(O[C@H]1CN2CCC1CC2)N1CCC2=CC=CC=C2[C@@H]1C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLP... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MGGALGPALLLTSLFGAWAGLGPGQGEQGMTVAVVFSSSGPPQAQFRARLTPQSFLDLPLEIQPLTVGVNTTNPSSLLTQICGLLGAAHVHGIVFEDNVDTEAVAQILDFISSQTHVPILSISGGSAVVLTPKEPGSAFLQLGVSLEQQLQVLFKVLEEYDWSAFAVITSLHPGHALFLEGVRAVADASHVSWRLLDVVT... |
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: MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYST... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MATAGKVIKCKAAVAWEAGKPLSIEEVEVAPPQAMEVRVKILYTSLCHTDVYFWEAKGQTPVFPRIFGHEAGGIIESVGEGVTDVAPGDHVLPVFTGECKECPHCKSAESNMCDLLRINTVRGVMIGDGKSRFSINGKPIYHFVGTSTFSEYTVMHVGCVAKINPEAPLDKVCVLSCGISTGLGASINVAKPPKGSTVAI... | 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. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: NC1=CC(=NC(N)=[N+]1[O-])N1CCCCC1 | This approved drug compound targets the protein with sequence: MNASSRNVFDTLIRVLTESMFKHLRKWVVTRFFGHSRQRARLVSKDGRCNIEFGNVEAQSRFIFFVDIWTTVLDLKWRYKMTIFITAFLGSWFFFGLLWYAVAYIHKDLPEFHPSANHTPCVENINGLTSAFLFSLETQVTIGYGFRCVTEQCATAIFLLIFQSILGVIINSFMCGAILAKISRPKKRAKTITFSKNAVI... |
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: TIGSICMVIGIVSLMLQIGNMISIWVSHSIQTGNQNQVEPISNTNFLTEKAVASVTLAGNSSLCPIRGWAVHSKDNSIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPHRTLMSCPVGEAPSPYNSRFESVAWSASACHDGTSWLTIGISGPDNGAVAVLKYNGMITDTIKSWRNNILRTQE... | 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. |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 | This approved drug compound targets the protein with sequence: MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATGYHFNVMTCEGCKGFFRRAMKRNARLRCPFRKGACEITRKTRRQCQACRLRKCLESGMKKEMIMSDEAVEERRALIKRKKSERTGTQPLGVQGLTEEQRMMIRELMDAQMKTFDTTFSHFKNFRLPGVLSSGCELPESLQAPSREEAAKWS... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CC(Cc1ccccc1)NCC=C1c2ccccc2CCc2ccccc21
Protein sequence: MKLPIYLDYSATTPVDPRVAEKMMQFLTLDGTFGNPASRSHRFGWQAEEAVDIARNQIAELVGADPREIVFTSGATESDNLAIKGAANFYQKKGKHIITSKTEHKAVLDTCRQLEREGFEVTYLAPQSNGIIDLKALEAAMRDDTILVSIMHVNNEIGVVQDIATIGEMCRARGIIYHVDATQSVGKLPIDLSQLKVDLM... | Yes, this compound binds to the given protein target. The SMILES structure CC(Cc1ccccc1)NCC=C1c2ccccc2CCc2ccccc21 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12 | This approved drug compound targets the protein with sequence: MEGDSYHNATTVNGTPVNHQPLERHRLWEVITIAAVTAVVSLITIVGNVLVMISFKVNSQLKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWALGSLACDLWLALDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLISFILWAPAILCWQYLVGKRTVPLDECQIQFLSEPTITFGTAIA... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MALSNSNSTTATVTLPDTLRFWPWQRHINPHYSACKKASSEWCESFKAFSPQAQRAFNKCDFNGCRIGCDLMNLFFIIDEHTDIASAETARTQANIIMEAIRDPEMPRSENEWVGGKAAQQFWLNATKSATPSAHRRFIDAFQMYMDAVVQQAADRSKNYVRDIDDYFVVRRDTIGAKPSFAICELYLNLPDSVMEHPVI... | 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: 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: MEPAPLILLAAGGTGGHLFPAEALGVVLMQRGLRVRLVTDSRALRYSGLFSREMTDVVPSETVRGRSPVALARTGAMLGAGTLKALTLMWRLKPAAVIGFGGYPTLPPLIAARLMKIPTLVHDSNAVMGRANRFLSAHVTAIATSLPGVLDRDPALAAKTTTTGTPMRPAILAAAAVPYAAPEPDGPLRLLVTGGSQGAR... | 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. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEE... |
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: MGSTDTEDQVRTIDVGTPPERYARGWHCLGLVRDFADGKPHQVDAFGTSLVVFAGEDGKLNVLDAYCRHMGGNLAQGSVKGNTIACPFHDWRWRGDGKCAEIPYARRVPPLARTRTWPVAEVSGQLFVWHDPQGSKPPAELAVPEVPTYGDPGWTDWVWNSIEVTGSHCREIVDNVVDMAHFFYVHYGMPTYFRNVFEGH... | 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 a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MKILVMNCGSSSLKYQLLDMDNGKVLAKGLAERIGINDSLLTHQVEGKDKIKIQKDMKNHKEAIQIVLEALVDKEIGILKDMKEIDAVGHRVVHGGEFFTDSVLIDDEVIKKLEACIDLAPLHNPANIEGIKACRQIMPGVPMVAVFDTAFHQTMPDYAYIYPIPYEYYEKYRIRRYGFHGTSHKYVSLRAAEILKRPIE... | 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: CN1CCC(CC1)=C1C2=C(CCC3=CC=CC=C13)SC=C2 | This approved drug compound targets the protein with sequence: MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYST... |
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: MPEHAPDGVRPARPHHKLTADGRRMREVLTYSRRGSRFSPRQQQAWAAYAERWWVPDEAVDDPGFTLAGCFERSAPLIVEIGSGIGESTVALAAARPDHDVVAIEVWRPGVADTLGRIGAAGLSNVRLLSVDAVWSMAHLVEPDSLAALWTFFPDPWHKAKHHKRRLVTASFARLVAGRLAPGAEWRLATDWADYADQMV... | 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: FC(F)OC(F)(F)C(F)Cl | This approved drug compound targets the protein with sequence: MSQTKMLKVRVTLFCILAGIVLAMTAVVTDHWAVLSPHMEHHNTTCEAAHFGLWRICTKRIPMDDSKTCGPITLPGEKNCSYFRHFNPGESSEIFEFTTQKEYSISAAAIAIFSLGFIILGSLCVLLSLGKKRDYLLRPASMFYAFAGLCILVSVEVMRQSVKRMIDSEDTVWIEYYYSWSFACACAAFILLFLGGLALL... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F | This approved drug compound targets the protein with sequence: MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVI... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CCCN1CCC[C@H]2c3ccc(C=O)c(O)c3CC[C@@H]21
Protein sequence: MQSTQPIQRCVLGSQQALPELAVSLLDNLGLITMTGNDKKSYLQGQVTCDVVSLETDQVTWGGHCDAKGKLWSVFRLFHYADGYAMLQDKSAIDVELRELKKYAVFAKVEINVSDAILLGVCGVQAEQAIAKLTNNAEAAVVTFAQGTAVKISPQRWLLVVDANQQDEVLAMLATAPLCDHALWDLYDILEVAPRIPAFA... | Yes, this compound binds to the given protein target. The SMILES structure CCCN1CCC[C@H]2c3ccc(C=O)c(O)c3CC[C@@H]21 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: MRLGTPLSPSATRVMLLGAGELGKEVIIALQRLGVEVVAVDRYEHAPGHQVAHRAHVIDMTDGAALRALIEAEKPLLVVPEIEAIATEALLEIERAGLAEVIPTARAVNLTMNREGIRRLAAETLGLPTSPYAFVDSYAEMCAAAERLGYPVIVKPVMSSSGKGQSRVDDAGEMRAAWDYAVRGGRVDKGRFIVEGVIDF... | 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: CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2 | This approved drug compound targets the protein with sequence: MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLP... |
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: MMDVNSSGRPDLYGHLRSFLLPEVGRGLPDLSPDGGADPVAGSWAPHLLSEVTASPAPTWDAPPDNASGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMA... |
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: MAEKGDCIASVYGYDLGGRFVDFQPLGFGVNGLVLSAVDSRACRKVAVKKIALSDARSMKHALREIKIIRRLDHDNIVKVYEVLGPKGTDLQGELFKFSVAYIVQEYMETDLARLLEQGTLAEEHAKLFMYQLLRGLKYIHSANVLHRDLKPANIFISTEDLVLKIGDFGLARIVDQHYSHKGYLSEGLVTKWYRSPRLL... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CC1Cc2c(OCc3ccc(-c4ccccc4)cn3)ccc3c2c(c(CCSC(C)C(=O)O)n3Cc2ccc(Cl)cc2)S1
Protein sequence: MAEYQNIFSQVQVRGPADLGMTEDVNLANRSGVGPFSTLLGWFGNAQLGPIYLGSLGVLSLFSGLMWFFTIGIWFWYQAGWNPAVFLRDLFFFSLEPPAPEYGLSFAAPLKEGGLWLIASFFMFVAVWSWWGRTYLRAQALGMGKHTAWAFLSAIWLWMVLGFIRPILMGSWSEAVPYGIFSHLDWTNNFSLVHGNLFYN... | 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. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC#N
Protein sequence: MTAKSAAAAARATVYGYPRQGPNRELKKAIEGYWKGRVSAPELRSLAADLRAANWRRLADAGIDEVPAGDFSYYDHVLDTTVMVGAIPERHRAAVAADALDGYFAMARGTQEVAPLEMTKWFDTNYHYLVPELGPDTVFTADSTKQVTELAEAVALGLTARPVLVGPVTYLLLAKPAPGAPADFEPLTLLDRLLPVYAEV... | Yes, this compound binds to the given protein target. The SMILES structure CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC#N has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MRALVKTSPAPGLELTELPDPTPGANDIVVQVFRTGICGTDLHIDSWDEWAARTVPTPLVIGHEFAGEVVAVGSAVTQAQVGDFVSGEGHLVCGTCRNCRAGRRHLCANTRGLGVHHNGAFAEYAVLPEQNVWVHREHVDPDVAAIFDPFGNAVHTALTFPVVGEDVLITGAGPIGLMAACVARHAGARNVVITDVSEHR... | 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. |
Does the following compound bind to the given protein target? | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MEGARPVRAPRGTTLTARSWATEAPLRMLMNNLDPENAERPDDLVVYGGTGRAARNWASFDAMVRTLTTLREDETMLVQSGKPVGVFQTHEWAPRVLIANSNLVGDWATWPEFRRLEAMGLTMYGQMTAGSWIYIGTQGIVQGTYETFAAAAEKRFGGTLAGTLTLTGGCGGMGGAQPLAVTLNGGACLIVDVDEARLRR... | 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: C=CCN1CCC(Nc2nc3cccnc3n2Cc2ccccc2)CC1
Protein sequence: MSISKAIAADLLEIKAVSLSPSQPFTWASGIKSPIYTDNRVTLAYPEVRSQIEGAFAELIKTEFPEVEVIAGTATAGIPHGAIIADYLKLPFAYIRSKPKDHGAGNQVEGRVAKGQKMVVVEDLISTGGSVLEAVAAAEREGADVLGVVAIFTYELEKANSKFADADVKLATLTNYSELIEIAKETGYVTKEELELLKKF... | Yes, this compound binds to the given protein target. The SMILES structure C=CCN1CCC(Nc2nc3cccnc3n2Cc2ccccc2)CC1 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: MKILGIDTSCDDTSAAIVEDGKNVLSSVLSSSIDAHKEFQGVVPEIAARKHLEAILYVIDKALKDANTTLDDIDLFAVTNRPGLLGSLLVGVASAKSLAFSLNKPLLALDHIAAHIYSPHLTNDIEFPYIALVVSGGHTIITEVHDYGEYKVVGTTLDDAVGEAYDKVSKFLNLGYPGGPIIDRLAKEGNKEAIKYPIVL... | 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: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MIKQASFITSSANKSNWIDDDVSEICLIGRSNVGKSSFINSLTNNNKLAKISNTPGKTRLLNFFEINKGEYRLVDAPGYGYAKVDDNLKIQFAKMMEEYFINRRNLKGVFLLLDLRHKPSNDDIMMYQFLKHYNIPVVIIGTKLDKLKKSEYVKNEKMIKETISFYQEDDFVKISNLNKTNIIKCYELIDKLLGSK | 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: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MSDSPVTLPESIKLTEYSHGAGCGCKISPKVLSTILASQLPVFTDPNLLVGNQSRDDAAVYKLNDDIGIISTTDFFMPIVDDPFTFGRIAATNAISDIYAMGGTPIMAIAILGWPINKLPAEVAQQVVDGGRQACMEAGIMLAGGHSIDAPEPIFGLAVTGQIALTDLKQNDTAKAGDRLYLTKPIGIGILTTAQKQKKL... | 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: CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C | This approved drug compound targets the protein with sequence: MSTLSNFTQTLEDVFRRIFITYMDNWRQNTTAEQEALQAKVDAENFYYVILYLMVMIGMFSFIIVAILVSTVKSKRREHSNDPYHQYIVEDWQEKYKSQILNLEESKATIHENIGAAGFKMSP |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12
Protein sequence: MKILRKNHPLLKIVNHSFIDLPTPSNISSWWNFGSLLGVCLIIQILTGLFLAMHYTSDTTTAFSSVAHICRDVNYGWLIRYLHANGASMFFICLFIHVGRGIYYGSYVLSETWNIGIILFLTTMATAFVGYVLPWGQMSFWGATVITNLLSAVPYIGSTLVEWIWGGFSVDKATLTRFFAFHFILPFIITAFALVHLLFL... | 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: CCC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2 | This approved drug compound targets the protein with sequence: MGSTWGSPGWVRLALCLTGLVLSLYALHVKAARARDRDYRALCDVGTAISCSRVFSSRWGRGFGLVEHVLGQDSILNQSNSIFGCIFYTLQLLLGCLRTRWASVLMLLSSLVSLAGSVYLAWILFFVLYDFCIVCITTYAINVSLMWLSFRKVQEPQGKAKRH |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MNVFYDKDADLSLIKGKQVTIIGYGSQGHAHALNLKDSGVNVTVGLRKGGASWSKAENAGLSVKEVAEAVKGADVVMMLLPDEQIADVYAKEVHANIKQGAALAFAHGFNVHYGQVIPRADLDVIMIAPKAPGHTVRGTYSQGGGVPHLIAVAQNKSGAARDIALSYAAANGGGRAGIIETNFREETETDLFGEQAVLCG... | 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: CC1=C(SC=C1)C(=CCCN1CCC[C@H](C1)C(O)=O)C1=C(C)C=CS1 | This approved drug compound targets the protein with sequence: MATNGSKVADGQISTEVSEAPVANDKPKTLVVKVQKKAADLPDRDTWKGRFDFLMSCVGYAIGLGNVWRFPYLCGKNGGGAFLIPYFLTLIFAGVPLFLLECSLGQYTSIGGLGVWKLAPMFKGVGLAAAVLSFWLNIYYIVIISWAIYYLYNSFTTTLPWKQCDNPWNTDRCFSNYSMVNTTNMTSAVVEFWERNMHQM... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=C(CBr)Nc1ccc(-c2ccc(C(=O)O)cc2)cc1
Protein sequence: MNDTIAAIATPPGEGGIGIIRLSGPDAQSIALRIFRPVRPGRLRSHRVRYGHVIGPDGEVIDEALLTLMAAPHSFTREDVVEISCHGGALPVQLTLEAALAAGARLANPGEFTLRAFLNGRIDLSQAEATLDVIRAQTSAGLAIAQAQLGGWLAREVRAARTAILEPLAYITALIDFPEEGIEPQTVAGPIEQALATVER... | 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. |
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: MMEVPREIIEKLEIFQKLVKKWNKSINLVSDNTIHNFWQRHILDSLQLIQYIDNKEIHLVDIGSGAGLPGIVLSIAGVAQVSLIEADLRKCIFLEKASKISNNNVQIINQRIEKVEIDCSILTCRAFSNLNTIFNCIKNISVREKFLLLKGKNYLTEIVEAKERWLFGYLIHQSITCEEGKILEVSNLTKMI | 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. |
What is the biological target of this clinically approved compound? | Drug SMILES: CN1CCC(COC2=CN=C(N=C2)C2=CC(CN3N=C(C=CC3=O)C3=CC(=CC=C3)C#N)=CC=C2)CC1 | This approved drug compound targets the protein with sequence: MKAPAVLAPGILVLLFTLVQRSNGECKEALAKSEMNVNMKYQLPNFTAETPIQNVILHEHHIFLGATNYIYVLNEEDLQKVAEYKTGPVLEHPDCFPCQDCSSKANLSGGVWKDNINMALVVDTYYDDQLISCGSVNRGTCQRHVFPHNHTADIQSEVHCIFSPQIEEPSQCPDCVVSALGAKVLSSVKDRFINFFVGNT... |
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: MEMKDFIFTSESVSEGHPDKVADQVSDAILDAILTQDPKSRVACETLVTTGMTVVAGEITTNAIVDYPKIVRETIKEIGYNDSAMGFDWETCAVLTSIDKQSPDIAQGVTEGEGLFKEQGAGDQGLMFGYACNETPELMPMSILLSHKLVKKLADVRKSGVLDFLRPDSKSQVSIQYINDRPVHVDTVVISSQHTPEVSY... | 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: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MRKFAYCKVVLATSLIWVLLDMFLLLYFSECNKCDEKKERGLPAGDVLEPVQKPHEGPGEMGKPVVIPKEDQEKMKEMFKINQFNLMASEMIALNRSLPDVRLEGCKTKVYPDNLPTTSVVIVFHNEAWSTLLRTVHSVINRSPRHMIEEIVLVDDASERDFLKRPLESYVKKLKVPVHVIRMEQRSGLIRARLKGAAVS... | 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. |
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: MPVRRGHVAPQNTFLDTIIRKFEGQSRKFIIANARVENCAVIYCNDGFCELCGYSRAEVMQRPCTCDFLHGPRTQRRAAAQIAQALLGAEERKVEIAFYRKDGSCFLCLVDVVPVKNEDGAVIMFILNFEVVMEKDMVGSPAHDTNHRGPPTSWLAPGRAKTFRLKLPALLALTARESSVRSGGAGGAGAPGAVVVDVDL... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MKIIFPILSNPVFRRTVKLLLCLLWIGYSQGTTHVLRFGGIFEYVESGPMGAEELAFRFAVNTINRNRTLLPNTTLTYDTQKINLYDSFEASKKACDQLSLGVAAIFGPSHSSSANAVQSICNALGVPHIQTRWKHQVSDNKDSFYVSLYPDFSSLSRAILDLVQFFKWKTVTVVYDDSTGLIRLQELIKAPSRYNLRLK... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CC1Cc2c(OCc3ccc(-c4ccccc4)cn3)ccc3c2c(c(COCC(=O)O)n3Cc2ccc(Cl)cc2)S1
Protein sequence: MRIPEFDDIELGAGGGPSGSAEQWRAAVKESVGKSESDLLWETPEGIAVKPLYTGADVEGLDFLETYPGVAPYLRGPYPTMYVNQPWTIRQYAGFSTAEESNAFYRRNLAAGQKGLSVAFDLPTHRGYDSDHPRVTGDVGMAGVAIDSIYDMRQLFDGIPLDKMTVSMTMNGAVLPVLALYIVAAEEQGVPPEKLAGTIQ... | Yes, this compound binds to the given protein target. The SMILES structure CC1Cc2c(OCc3ccc(-c4ccccc4)cn3)ccc3c2c(c(COCC(=O)O)n3Cc2ccc(Cl)cc2)S1 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O | This approved drug compound targets the protein with sequence: MDKFWWHAAWGLCLVPLSLAQIDLNITCRFAGVFHVEKNGRYSISRTEAADLCKAFNSTLPTMAQMEKALSIGFETCRYGFIEGHVVIPRIHPNSICAANNTGVYILTSNTSQYDTYCFNASAPPEEDCTSVTDLPNAFDGPITITIVNRDGTRYVQKGEYRTNPEDIYPSNPTDDDVSSGSSSERSSTSGGYIFYTFST... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | 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: MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRI... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MKSNTLGDEGNPARLLIKVTRETLPQVKEKYPFLYLEKGRIEIDDSSIKWIDCDCNVVRLPVAMLNCILLGPGTTVTHEAVKVMAAANCGICWVGDDSLMFYASGQTPTSNTRNMTHQMKLAANPAKALEVARRLFAYRFPDANLENKTLPQMMGMEGLRVRKLYEEMAVKYKVGWKGRRFEPGKFEMSDTTNKILTASN... | 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. |
Does the following compound bind to the given protein target? | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MTTRLFGTDGLRGQVNIYPMVPDMALRLGLAAGTFFRNGNKRHRVVIGKDTRLSGYVFEMALTSGLCAAGMDVFLVGPLPTPAVAFLTRNMRADLGVVISASHNPFHDNGIKFFDKDGFKLPDSQEDAITEMVLNQNHRWDYPEPERVGRAHKIQDAPGRYIVYLKNSFPSTLTLDGMKVVLDCANGANYRVAPLALEEL... | 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: MKNHLLFWGVLAVFIKAVHVKAQEDERIVLVDNKCKCARITSRIIRSSEDPNEDIVERNIRIIVPLNNRENISDPTSPLRTRFVYHLSDLCKKCDPTEVELDNQIVTATQSNICDEDSATETCYTYDRNKCYTAVVPLVYGGETKMVETALTPDACYPD |
Identify the protein target for the following approved drug compound. | Drug SMILES: S=C1NC2=C(S1)C=CC=C2 | This approved drug compound targets the protein with sequence: MRALAVLSVTLVMACTEAFFPFISRGKELLWGKPEESRVSSVLEESKRLVDTAMYATMQRNLKKRGILSPAQLLSFSKLPEPTSGVIARAAEIMETSIQAMKRKVNLKTQQSQHPTDALSEDLLSIIANMSGCLPYMLPPKCPNTCLANKYRPITGACNNRDHPRWGASNTALARWLPPVYEDGFSQPRGWNPGFLYNGF... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C | This approved drug compound targets the protein with sequence: MKTKLNIYNMQFLLFVFLVWDPARLVLANIQEDEAKNNITIFTRILDRLLDGYDNRLRPGLGDSITEVFTNIYVTSFGPVSDTDMEYTIDVFFRQKWKDERLKFKGPMNILRLNNLMASKIWTPDTFFHNGKKSVAHNMTMPNKLLRIQDDGTLLYTMRLTVQAECPMHLEDFPMDAHSCPLKFGSYAYTTSEVTYIWTY... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O | This approved drug compound targets the protein with sequence: MAFSKLLEQAGGVGLFQTLQVLTFILPCLMIPSQMLLENFSAAIPGHRCWTHMLDNGSAVSTNMTPKALLTISIPPGPNQGPHQCRRFRQPQWQLLDPNATATSWSEADTEPCVDGWVYDRSVFTSTIVAKWDLVCSSQGLKPLSQSIFMSGILVGSFIWGLLSYRFGRKPMLSWCCLQLAVAGTSTIFAPTFVIYCGLR... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: O=C(O)Cc1cccc2c1Cc1c-2nc(O)c2nc(-c3ccc(C(=O)O)cc3)cn12
Protein sequence: MNVKESEPAQADLQASWMCAECGYIYDPAEGNLETNIRPGMPFDKLPDDWSCPVCNHPKNQFTKFISQL | 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: NCCC1=CC(O)=C(O)C=C1 | This approved drug compound targets the protein with sequence: MDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYV... |
What is the biological target of this clinically approved compound? | 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: MKTKLNIYNMQFLLFVFLVWDPARLVLANIQEDEAKNNITIFTRILDRLLDGYDNRLRPGLGDSITEVFTNIYVTSFGPVSDTDMEYTIDVFFRQKWKDERLKFKGPMNILRLNNLMASKIWTPDTFFHNGKKSVAHNMTMPNKLLRIQDDGTLLYTMRLTVQAECPMHLEDFPMDAHSCPLKFGSYAYTTSEVTYIWTY... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CC#C[C@@]1(O)CC[C@@]2(CCO)c3ccc(O)cc3CC[C@@H]2C1
Protein sequence: MRRSGTALSFLWTERVREPVDSGVAPVSPLGGGVILRRFSGTLLLPPLSSRLGSSGEAESAAHVVFTIGTQGTQRNLGSAQSSFDLENGLPGGKGLLDAQSGPSLGRALQPPVHHVQRRESFLYRSDSDHEPSPKAVSRTSSAASDLHGEDMIVTPFAQVLASLRTVRNNVAALAHGPGSATRQVLLGTPPHSSQQAAPT... | Yes, this compound binds to the given protein target. The SMILES structure CC#C[C@@]1(O)CC[C@@]2(CCO)c3ccc(O)cc3CC[C@@H]2C1 has documented binding affinity with the specified peptide sequence. |
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: MLSSTDLVQAVTADLGKIRETAPLVLSLTNSVVQPLTANLLLAIGAVPAMLNDAEEAVDMLRSGTGALLVNLGTVTREQGAAMQTAVREANRLNIPWVLDPVAVGALSLRTRLAGQLKEQSPRIIRGNASEIMALAGYSSVTKGPESTSSSADALHAARELALHTGAAVLVTGRTDYSTDGRQVTATENGHAMMSRVTGV... | 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: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MTKSHSEEVIVPEFNSSAKELPRPLAEKCPSIIKKFISAYDAKPDFVARSPGRVNLIGEHIDYCDFSVLPLAIDFDMLCAVKVLNEKNPSITLINADPKFAQRKFDLPLDGSYVTIDPSVSDWSNYFKCGLHVAHSFLKKLAPERFASAPLAGLQVFCEGDVPTGSGLSSSAAFICAVALAVVKANMGPGYHMSKQNLMR... | 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: Cc1ccccc1N1CCN(CCCCN2CC(=O)N3CCCCC3C2=O)CC1
Protein sequence: MESLTLQPIARVDGAINLPGSKSVSNRALLLAALACGKTVLTNLLDSDDVRHMLNALSALGINYTLSADRTRCDITGNGGPLRASGALELFLGNAGTAMRPLAAALCLGQNEIVLTGEPRMKERPIGHLVDSLRQGGANIDYLEQENYPPLRLRGGFIGGDIEVDGSVSSQFLTALLMTAPLAPEDTIIRVKGELVSKPY... | 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 this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@@]13[H])[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=C2C=CC=C1)C(=O)OC | This approved drug compound targets the protein with sequence: MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFNTFFSETGAGKHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAANNYARGHYTIGKEIIDLVLDRIRKLADQCTGLQGFLVFHSFGGGTGSGFTSLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDC... |
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: MAQAGSASPLFAVVLAAGKGTRMKSNRAKVLHTLCGVPMVNYVIGAIRPLVPERLLVVVGHQAEQVRAVLPEDAEPVLQPEQRGTGDAVRVALEAIPEEEGVLLVVNGDGPLISDRTLGELLERHRSAGVGATVLVAELPDPSGLGRVREDAGVVRITEERDATEAERRNRLCNLGLYAFELPELRRAIREISSGAGRGE... | 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: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MSKNYLFTSESVSEGHPDKLADQISDAILDEILKQDKNARVACETLVKTGMALVAGEITTSAWVDIEELVRNVITETGYDNASKGIDGRTCSVINAIGKQSRDIAQGVDRGSLEDLGAGDQGLMFGFATNETPTLMPSAIYYSHLLMRKQAELRKSGKLAWLRPDAKAQVTLAYENDKPKFIDTIVLSTQHNESISQKEL... | 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: COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1 | This approved drug compound targets the protein with sequence: MVQKTSMSRGPYPPSQEIPMEVFDPSPQGKYSKRKGRFKRSDGSTSSDTTSNSFVRQGSAESYTSRPSDSDVSLEEDREALRKEAERQALAQLEKAKTKPVAFAVRTNVGYNPSPGDEVPVQGVAITFEPKDFLHIKEKYNNDWWIGRLVKEGCEVGFIPSPVKLDSLRLLQEQKLRQNRLGSSKSGDNSSSSLGDVVTG... |
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: MLFSQIVATSRDVGATRSRKVKVGALREVLIQLEPAEVEPVVAWLSGELRQGRIGIGWRTLGDIPATPADVPAVTVSDLDGTVTAVAGISGSGSAARRRKLLADLFARTTADERDFLLRLLTGDLRQGALEGVMTDAIAAAADLPVEPVRRAFMLSGRLPATAVAAFDGGVDALTAFRLEVGRPVRPMLASPAESLTDAW... | 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: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MTYKRVLLKLSGEALMGDKPYGIDPAIVQSIAEDVEKVIANNVQLAIVVGGGNIFRGLKGSADGMDRATADYVGMLATVMNAISLQDGLERVGVETRVQTAIEMQEIAEPYIRRRAMRHLEKGRVVVFGGGCGNPFFTTDTTAALRAAEINAEVVMKATKVDGVYDRDPNKFNEAKKYSSLSYQQVLSDEIAVMDSTAIA... | 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: 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: MVSAKKVPAIALSAGVSFALLRFLCLAVCLNESPGQNQKEEKLCTENFTRILDSLLDGYDNRLRPGFGGPVTEVKTDIYVTSFGPVSDVEMEYTMDVFFRQTWIDKRLKYDGPIEILRLNNMMVTKVWTPDTFFRNGKKSVSHNMTAPNKLFRIMRNGTILYTMRLTISAECPMRLVDFPMDGHACPLKFGSYAYPKSEM... |
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