instruction stringclasses 8
values | input stringlengths 16 761 | output stringlengths 112 280 |
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Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CC#C[C@@]1(O)CC[C@@]2(CCO)c3ccc(O)cc3CC[C@@H]2C1
Protein sequence: MRLILLGPPGAGKGTQAQRIVDKYGIPQLSTGDMLRAAVSAQTEVGKRAKAVMDAGKLVSDDIVIAIVSERIDQDDCSNGFILDGFPRTLIQADATEKMLAVKGLELSAVVEIRVEDEILADRIAGRYTCANCGTGYHDENLKPKVEGVCDKCGSTHFKRRPDDNRDTVKTRLQAYYKETSPLIGYYYAKGKLHSVDGMA... | 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. |
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: MMDELDKDQIAMLKKAFDGFDHEKKGAINCDVVATILRMMGQAYNAQTLKELIDEVDADGSGMLEFEEFVTLAAKFIIDDDAEAMAKELKEAFRLYDKAGKGYIPTSALKDILKELDETLNAEDLDNIIGEIDTDGSGTVDFDEFMEMMTG | 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. |
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: MSEMTPREIVHELNRHIIGQDKAKRSVAIALRNRWRRMQLEESLRVEVTPKNILMIGPTGVGKTEIARRLAKLANAPFIKVEATKFTEVGYVGKEVETIIRDLTDVAVKMTHQQAMEKVKFRAEEQAEERVLDALLPPARDAWGQSEQKEDTSNTRQIFRKKLREGQLDDKEIEIDVAAPQMGVEIMAPPGMEEMTNQLQ... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MQLTIIVLDSVGAGALPDAAAFGDAGAHTLNHTLKQAPVPLPHLARLGLGKLPTIDTSPETVPADAEVTGAYGRMREVSPGKDTSTGHWEFMGVQLEHPFQVFPDGFPPEVMDRFDAATGRGHLCNKPYSGTDVIRDYGEEHRRTGFPIVYTSADSVFQIAAHEDVVPLETLYEWCRAAREILQGEYAVARVIARPFRGE... | 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. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1 | This approved drug compound targets the protein with sequence: MDNGMFSGFIMIKNLLLFCISMNLSSHFGFSQMPTSSVKDETNDNITIFTRILDGLLDGYDNRLRPGLGERITQVRTDIYVTSFGPVSDTEMEYTIDVFFRQSWKDERLRFKGPMQRLPLNNLLASKIWTPDTFFHNGKKSIAHNMTTPNKLLRLEDDGTLLYTMRLTISAECPMQLEDFPMDAHACPLKFGSYAYPNSE... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1 | This approved drug compound targets the protein with sequence: MVNLRNAVHSFLVHLIGLLVWQSDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKV... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: O=c1cnn(-c2ccc(Oc3ccc(Cl)cc3Cl)c(Cl)c2)c(=O)[nH]1
Protein sequence: MRRHAIILAAGKGTRMKSKKYKVLHEVAGKPMVEHVLESVKGSGVDQVVTIVGHGAESVKGHLGERSLYSFQEEQLGTAHAVQMAKSHLEDKEGTTIVVCGDTPLITKETLVTLIAHHEDANAQATVLSASIQQPYGYGRIVRNASGRLERIVEEKDATQAEKDINEISSGIFAFNNKTLFEKLTQVKNDNAQGEYYLPD... | Yes, this compound binds to the given protein target. The SMILES structure O=c1cnn(-c2ccc(Oc3ccc(Cl)cc3Cl)c(Cl)c2)c(=O)[nH]1 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CCN(CC)CCOC(=O)C1=CC=C(N)C=C1 | This approved drug compound targets the protein with sequence: MGPSCPVFLSFTKLSLWWLLLTPAGGEEAKRPPPRAPGDPLSSPSPTALPQGGSHTETEDRLFKHLFRGYNRWARPVPNTSDVVIVRFGLSIAQLIDVDEKNQMMTTNVWLKQEWSDYKLRWNPTDFGNITSLRVPSEMIWIPDIVLYNNADGEFAVTHMTKAHLFSTGTVHWVPPAIYKSSCSIDVTFFPFDQQNCKMK... |
Identify the protein target for the following approved drug compound. | Drug SMILES: OC(=O)CCCC1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MAQTQGTRRKVCYYYDGDVGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKANAEEMTKYHSDDYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVASAVKLNKQQTDIAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHK... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: O=S(=O)([O-])[O-].[Zn+2] | This approved drug compound targets the protein with sequence: MDPNCSCAAGDSCTCAGSCKCKECKCTSCKKSCCSCCPVGCAKCAQGCICKGASDKCSCCA |
What is the biological target of this clinically approved compound? | Drug SMILES: CC(C)C1=C(OCCN(C)C)C=C(C)C(OC(C)=O)=C1 | This approved drug compound targets the protein with sequence: MASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYP... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: N#C/C=C1/c2ccccc2N=C(N2CCC(O)(c3ccccc3)CC2)c2ccccc21
Protein sequence: MTTSHILGFPRVGAKRELKFAQERYWRKELAEQDLLDLAKALREKNWKHQAAANADFVAVGDFTFYDHILDLQVATGAIPARFGFDSQNLTLDQYFQLARGNKDQFAIEMTKWFDTNYHYLVPEFQKSTAFKANPAHYVNQIREAKALGLNFKPVIVGPLTFLWLGKEKGEAFNRFDLLNQLVPVYVEILNALVAEGAEW... | Yes, this compound binds to the given protein target. The SMILES structure N#C/C=C1/c2ccccc2N=C(N2CCC(O)(c3ccccc3)CC2)c2ccccc21 has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [KH] | This approved drug compound targets the protein with sequence: MGKGVGRDKYEPAAVSEQGDKKGKKGKKDRDMDELKKEVSMDDHKLSLDELHRKYGTDLSRGLTSARAAEILARDGPNALTPPPTTPEWIKFCRQLFGGFSMLLWIGAILCFLAYSIQAATEEEPQNDNLYLGVVLSAVVIITGCFSYYQEAKSSKIMESFKNMVPQQALVIRNGEKMSINAEEVVVGDLVEVKGGDRIP... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(N3CCN(C)CC3)c2c(=O)n1Cc1ccnc(C)c1
Protein sequence: MQLLHHAQLVTMDEESGGYGLIEQGALVIEAGRISWIGPETDLPAQYADATRRDLGGRLVTPGLIDCHTHIVFGGDRAREFEMRLEGASYEEIARAGGGILSSVRATREADEEALLAAALPRVDTLLAEGVTTLEIKSGYGLDIDSELKMLRVARRVGQLRKVTVRTTWLAAHALPPEYKDDRAGYIREVVIAGMERGHA... | Yes, this compound binds to the given protein target. The SMILES structure COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(N3CCN(C)CC3)c2c(=O)n1Cc1ccnc(C)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@H](CS)C(=O)N1CCC[C@H]1C(O)=O | This approved drug compound targets the protein with sequence: MPEIVDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNLRSLVLDTKDLTIEKVVINGQEVKYALGERQSYKGSPMEISLPIALSKNQEIVIEISFETSPKSSALQWLTPEQTSGKEHPYLFSQCQAIHCRAILPCQDTPSVKLTYTAEVSVPKELVALMSAIRDGETPDPEDPSRKIYKFIQKVPIPC... |
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: MNWTEVAIVANHEVSPIITNLLEDYGSNGVVIEDSEDLTHDFEDKYGEIYALNAEDYPTQGVRVKAYFNEIKYTKDFQEKLIQSLKDIESLDLDLFSFDEQTIREQDWENEWKHYFHPFRASEKFTIVPSWETYQQEDDSELCIELDPGMAFGTGDHPTTSMCLKAIEAYVKSSDSVIDVGTGSGILSIAAHLLGVKRIK... | 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: 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: MEFVRALWLGLALALGPGSAGGHPQPCGVLARLGGSVRLGALLPRAPLARARARAALARAALAPRLPHNLSLELVVAAPPARDPASLTRGLCQALVPPGVAALLAFPEARPELLQLHFLAAATETPVLSLLRREARAPLGAPNPFHLQLHWASPLETLLDVLVAVLQAHAWEDVGLALCRTQDPGGLVALWTSRAGRPPQ... |
Identify the protein target for the following approved drug compound. | Drug SMILES: NCC(O)=O | This approved drug compound targets the protein with sequence: MITLNNQDQPVPFNSSHPDEYKIAALVFYSCIFIIGLFVNITALWVFSCTTKKRTTVTIYMMNVALVDLIFIMTLPFRMFYYAKDEWPFGEYFCQILGALTVFYPSIALWLLAFISADRYMAIVQPKYAKELKNTCKAVLACVGVWIMTLTTTTPLLLLYKDPDKDSTPATCLKISDIIYLKAVNVLNLTRLTFFFLIPL... |
What is the biological target of this clinically approved compound? | Drug SMILES: [Cu] | This approved drug compound targets the protein with sequence: MSGALDVLQMKEEDVLKFLAAGTHLGGTNLDFQMEQYIYKRKSDGIYIINLKRTWEKLLLAARAIVAIENPADVSVISSRNTGQRAVLKFAAATGATPIAGRFTPGTFTNQIQAAFREPRLLVVTDPRADHQPLTEASYVNLPTIALCNTDSPLRYVDIAIPCNNKGAHSVGLMWWMLAREVLRMRGTISREHPWEVMPD... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]1(C)CCC2=C(C)C(OC(=O)CCC(O)=O)=C(C)C(C)=C2O1 | This approved drug compound targets the protein with sequence: MTNQEKWAHLSPSEFSQLQKYAEYSTKKLKDVLEEFHGNGVLAKYNPEGKQDILNQTIDFEGFKLFMKTFLEAELPDDFTAHLFMSFSNKFPHSSPMVKSKPALLSGGLRMNKGAITPPRTTSPANTCSPEVIHLKDIVCYLSLLERGRPEDKLEFMFRLYDTDGNGFLDSSELENIISQMMHVAEYLEWDVTELNPILH... |
Describe the drug-target relationship for the following approved small molecule. | 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: MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQGYEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEAS... |
What is the biological target of this clinically approved compound? | Drug SMILES: COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2 | This approved drug compound targets the protein with sequence: MTAKMETTFYDDALNASFLPSESGPYGYSNPKILKQSMTLNLADPVGSLKPHLRAKNSDLLTSPDVGLLKLASPELERLIIQSSNGHITTTPTPTQFLCPKNVTDEQEGFAEGFVRALAELHSQNTLPSVTSAAQPVNGAGMVAPAVASVAGGSGSGGFSASLHSEPPVYANLSNFNPGALSSGGGAPSYGAAGLAFPAQ... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: NCC(O)=O | This approved drug compound targets the protein with sequence: MATNWGSLLQDKQQLEELARQAVDRALAEGVLLRTSQEPTSSEVVSYAPFTLFPSLVPSALLEQAYAVQMDFNLLVDAVSQNAAFLEQTLSSTIKQDDFTARLFDIHKQVLKEGIAQTVFLGLNRSDYMFQRSADGSPALKQIEINTISASFGGLASRTPAVHRHVLSVLSKTKEAGKILSNNPSKGLALGIAKAWELYG... |
Does the following compound bind to the given protein target? | Compound SMILES: COc1cc(C(=O)/C=C(\C)c2ccccc2)cc(OC)c1OC
Protein sequence: MQGLRTLFLLLTACLASRADPASTLPDIQVQENFSESRIYGKWYNLAVGSTCPWLSRIKDKMSVSTLVLQEGATETEISMTSTRWRRGVCEEITGAYQKTDIDGKFLYHKSKWNITLESYVVHTNYDEYAIFLTKKSSHHHGLTITAKLYGREPQLRDSLLQEFKDVALNVGISENSIIFMPDRGECVPGDREVEPTSIA... | Yes, this compound binds to the given protein target. The SMILES structure COc1cc(C(=O)/C=C(\C)c2ccccc2)cc(OC)c1OC has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC | This approved drug compound targets the protein with sequence: MATTVTCTRFTDEYQLYEDIGKGAFSVVRRCVKLCTGHEYAAKIINTKKLSARDHQKLEREARICRLLKHSNIVRLHDSISEEGFHYLVFDLVTGGELFEDIVAREYYSEADASHCIQQILEAVLHCHQMGVVHRDLKPENLLLASKCKGAAVKLADFGLAIEVQGDQQAWFGFAGTPGYLSPEVLRKEAYGKPVDIWAC... |
Identify the protein target for the following approved drug compound. | Drug SMILES: COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N | This approved drug compound targets the protein with sequence: MVNENTRMYIPEENHQGSNYGSPRPAHANMNANAAAGLAPEHIPTPGAALSWQAAIDAARQAKLMGSAGNATISTVSSTQRKRQQYGKPKKQGSTTATRPPRALLCLTLKNPIRRACISIVEWKPFEIIILLTIFANCVALAIYIPFPEDDSNATNSNLERVEYLFLIIFTVEAFLKVIAYGLLFHPNAYLRNGWNLLDF... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CC#C[C@@]1(O)CC[C@@]2(CCO)c3ccc(O)cc3CC[C@@H]2C1
Protein sequence: MAPIGDDASQTLHDLVNKLESRVKELEDKLAHAAGGPAPAASESVRMILMGPPGAGKGTQAPKIKEKFSCCHLATGDMLRSQVAKKTPLGREAKKIMDQGGLVSDEIVIGMIKAELEGNSECKGGFILDGFPRTVVQAERLDAMLAERNQKLQHAVELQIDDSLLVSRITGRLVHPASGRSYHRVFNPPKADMKDDITGE... | 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. |
Identify the protein target for the following approved drug compound. | 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: METTPLNSQKQLSACEDGEDCQENGVLQKVVPTPGDKVESGQISNGYSAVPSPGAGDDTRHSIPATTTTLVAELHQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSC... |
Does the following compound bind to the given protein target? | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MTTGLLQGKKGLITGIANNMSISWAIAQLAKKHGAELWFTYQSEVLEKRVKPLAEEIGCNFISELDVTNQKSISNLFNDIKEKWNSFDFLLHGMAFANKNELKGRYVETSLENFHNSLHISCYSLLELSRSAETLMHNGGSIVTLTYYGAEKVIPNYNIMGVAKAALEASVKYLANDMGENNIRVNAISAGPIKTLASSA... | 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. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MAVAAPSPAAAAEPGPAARPRSTRGQVRLPGGEFAMGDAFGEGYPADGETPVHTVRLRPFHIDETAVTNARFAAFVKATGHVTDAERFGSSAVFHLVVAAPDADVLGSAAGAPWWINVRGAHWRRPEGARSDITGRPNHPVVHVSWNDATAYARWAGKRLPTEAEWEYAARGGLAGRRYAWGDELTPGGRWRCNIWQGRF... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CNCC[S+]([O-])CP(=O)(O)O has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: C[C@@H](NCCC1=CC=C(O)C=C1)[C@@H](O)C1=CC=C(O)C=C1 | This approved drug compound targets the protein with sequence: MGDVKLVASSHISKTSLSVDPSRVDSMPLTEAPAFILPPRNLCIKEGATAKFEGRVRGYPEPQVTWHRNGQPITSGGRFLLDCGIRGTFSLVIHAVHEEDRGKYTCEATNGSGARQVTVELTVEGSFAKQLGQPVVSKTLGDRFSAPAVETRPSIWGECPPKFATKLGRVVVKEGQMGRFSCKITGRPQPQVTWLKGNVP... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)=O | This approved drug compound targets the protein with sequence: MEQPQEEAPEVREEEEKEEVAEAEGAPELNGGPQHALPSSSYTDLSRSSSPPSLLDQLQMGCDGASCGSLNMECRVCGDKASGFHYGVHACEGCKGFFRRTIRMKLEYEKCERSCKIQKKNRNKCQYCRFQKCLALGMSHNAIRFGRMPEAEKRKLVAGLTANEGSQYNPQVADLKAFSKHIYNAYLKNFNMTKKKARSI... |
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: MGRGYNLLFVLVTFLVLVAAVTAQGNRGSNSGGGRRPHVGFYGNRCRNVESIVRSVVQSHVRSIPANAPGILRMHFHDCFVHGCDGSVLLAGNTSERTAVPNRSLRGFEVIEEAKARLEKACPRTVSCADILTLAARDAVVLTGGQRWEVPLGRLDGRISQASDVNLPGPSDSVAKQKQDFAAKTLNTLDLVTLVGGHTI... | 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: NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O | This approved drug compound targets the protein with sequence: MAGVLKKTTGLVGLAVCNTPHERLRILYTKILDVLEEIPKNAAYRKYTEQITNEKLAMVKAEPDVKKLEDQLQGGQLEEVILQAEHELNLARKMREWKLWEPLVEEPPADQWKWPI |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(CBr)Nc1ccc(-c2ccc(C(=O)O)cc2)cc1
Protein sequence: MNTTVYALATPAGRSGVAVIRLSGGGAGGMLDALAGLPRPQPRMATLRALRDSGGSVMDRGLVLWFPGPGSFTGEDSAEFHVHGGPAVIDAVLSALDEAGAHPAEAGEFTRRAFENEKIDLTEAEGLADLIDAETEGQRVQALSQMSGSLRRLYDGWRDALITAMASIEGEIDFPDEADVPDALSHAAYEPLSELIGSMF... | 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: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MTPQRIGFVASSAPVAQEALNVMAARYGQCPLPEADAIVALGGDGFMLQTLHETQSLDIPVYGMNRGTVGFLMNGYAEDGLRERLAEAEEEILNPLAMTAVTGAGEVFHRIAINEVSLLRAGPQAAWLKISVDGKVRMEELVCDGALVCTPAGSTAYNYSAHGPILPIGADVLALTAIAPFRPRRWRGALLPKTALVRFD... | 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: FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1 | This approved drug compound targets the protein with sequence: MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVW... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVW... |
What is the biological target of this clinically approved compound? | Drug SMILES: CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLP... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CC(Cc1ccccc1)NCC=C1c2ccccc2CCc2ccccc21
Protein sequence: MLQRIYLDNNATTRIDPKVKEIMDPFLRDHYGNPSSLHQFGTETHPAIAEALDKLYKGINARDIDDVIITSCATESNNWVLKGVYFDECLKKGKNHIVTTVAEHPAVRSTCNFLESLGVEVTYLPINEHGSITAEQVKEAITEKTALVSVMWANNETGLIFPIEEIGAICKEKGVLFHTDAVQAIGKIPVDVLKANADFL... | 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. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(C)=O)C=C3CC[C@@]21[H] | This approved drug compound targets the protein with sequence: MSTFFSDTAWICLAVPTVLCGTVFCKYKKSSGQLWSWMVCLAGLCAVCLLILSPFWGLILFSVSCFLMYTYLSGQELLPVDQKAVLVTGGDCGLGHALCKYLDELGFTVFAGVLNENGPGAEELRRTCSPRLSVLQMDITKPVQIKDAYSKVAAMLQDRGLWAVINNAGVLGFPTDGELLLMTDYKQCMAVNFFGTVEVT... |
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: MELLEGSRRSDAMAVLRDACENWGFFELLNHGISHEPNEQSETVNKEHYREHYRRFREQRFKEFAAKTLDSGENVDGDNLDWESTFFLRHLPTSNISQVPDLDEDCGSTMKEFALGLEKLAERLLDLLCENLGLEKGYLKRVFCGGSDGLPTFGTKVSNYPPCPKPELIKGLRAHTDAGGIILLFQDDTVSGLQLLKDEE... | 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: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MASIEQVGAREILDSRGNPTVEVEVLLEDGSFARAAVPSGASTGEHEAVELRDGGARYGGKGVEKAVEAVLGEIAPAIIGIDATEQRTVDQALLDADGTPDKSRLGANALLGASLAVARAAAESSGLELFRYVGGPNAHVLPVPMMNILNGGAHADTGVDVQEFMVAPIGAPSFKESLRWGAEVYHSLKSVLKEKGLSTG... | 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: CN(C)CC(C1=CC=C(O)C=C1)C1(O)CCCCC1 | This approved drug compound targets the protein with sequence: MLLARMNPQVQPENNGADTGPEQPLRARKTAELLVVKERNGVQCLLAPRDGDAQPRETWGKKIDFLLSVVGFAVDLANVWRFPYLCYKNGGGAFLIPYTLFLIIAGMPLFYMELALGQYNREGAATVWKICPFFKGVGYAVILIALYVGFYYNVIIAWSLYYLFSSFTLNLPWTDCGHTWNSPNCTDPKLLNGSVLGNHT... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: O=S(=O)([O-])[O-].[Zn+2] | This approved drug compound targets the protein with sequence: MPKRSCPFADVAPLQLKVRVSQRELSRGVCAERYSQEVFEKTKRLLFLGAQAYLDHVWDEGCAVVHLPESPKPGPTGAPRAARGQMLIGPDGRLIRSLGQASEADPSGVASIACSSCVRAVDGKAVCGQCERALCGQCVRTCWGCGSVACTLCGLVDCSDMYEKVLCTSCAMFET |
Does the following compound bind to the given protein target? | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MTELVQDENKLIAERRAKLDHIRTQCPANAHPNTWERSHKAAELQAQYGENTKEELEALGYQTSIAGRVMAKRGPFLVIQDVSGRIQAYAGKPVQGDLKERYQGLDIGDIIGVKGQLHLSGKGDLYVNMEEYQLLTKALRPLPEKFHGLTDQETRYRQRYVDLIVNEESRNAFIMRSKVVSAIRNFMIKKEFMEVETPMM... | 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: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MRVLVWIAGLAPLAVAVPSSSYRVAVAARADNTSASVAPSQNVSGAAPPELVVYTLPCEDGNSTARTAEIRLKQATLLYGPSLLGNASYFPGGPLGDAISLRDQTVWEGAAVVQSLRAFTDAAKVAANIKQNGGLNSLDDFKVLYQDGWKGSVPQGIARGQSENYTSDLLFSMERLSVNPYILKRLHPTEDALPFQVDRA... | Yes, this compound binds to the given protein target. The SMILES structure Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12 has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: O=C(O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O
Protein sequence: MHNTLPTLILGAGPAAIQLAVDISATGDARLGLYNRPSTKGERLKQYLALTPTLYLQGTGKAQATQKESSVTIDCYIDQLAQAVGDWQRLILAVPADHYYAVLQQIPWAALPQLKSVILLSSSMGSGLMVQNLLNAAGKRDVEVISLSSYYADTKYIRAETQDISANTQDINAGTQDIGAIQPYRAYTKAFKQRIYLANQ... | 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. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MDLASAPRGESPPLKAPLVEIEAAEVERSLPQENAAPEEKGSNSQSEYESDSDALDDEWETQSLYEDAIQMIRDDQLRDGTIPGACTLEEAIEFRKRLHEVGKAQFVEETIARDTVTAKKLCTAFGILPPSFLEGAPDEAYHPLLAIAISREFARRQKLPQYNSVDDAVKLLKESKNIIVLTGAGISTSLGIPDFRSKDT... | 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: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MKVDYEQLCKLYDDTCRTKNVQFSYGTAGFRTLAKNLDTVMFSTGILAVLRSLKLQGQYVGVMITASHNPYQDNGVKIVEPDGSMLLATWEPYAMQLANAASFATNFEEFRVELAKLIEHEKIDLNTTVVPHIVVGRDSRESSPYLLRCLTSSMASVFHAQVLDLGCVTTPQLHYITDLSNRRKLEGDTAPVATEQDYYS... | 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)[C@H]1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12C
Protein sequence: MTRIAINGFGRIGRNVLRALLERDSDLDVVAVNDLTEPATLARLLAYDTTSGRLGRPVTVEGNVLVVDGRRITVTAEREPANLPWAELGVDIVLEATGRFTSAKAARAHLDAGAKKVLVSAPADGADITLAFGVNTDAYDPDLHTIVSNASCTTNALAPLAKVLDDLAGIEHGFMTTVHAYTQEQNLQDGPHRDPRRARA... | Yes, this compound binds to the given protein target. The SMILES structure CC(=O)[C@H]1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12C has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | 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: MTIESTNSFVVPSDTELIDVTPLGSTKLFQPIKVGNNVLPQRIAYVPTTRFRASKDHIPSDLQLNYYNARSQYPGTLIITEATFASERGGIDLHVPGIYNDAQAKSWKKINEAIHGNGSFSSVQLWYLGRVANAKDLKDSGLPLIAPSAVYWDENSEKLAKEAGNELRALTEEEIDHIVEVEYPNAAKHALEAGFDYVEI... | Yes, this compound binds to the given protein target. The SMILES structure CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NC(CC(C)C)C(=O)O)C(C)(C)CCC1 has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MGNSPSYNPPAGISPSDWLNLLQSAQRLNPRPSPSDFTDLKNYIHWFHKTQKKPWTFTSGGPASCPPGKFGRVPLVLATLNEVLSNDEGAPGASAPEEQPPPYDPPAVLPIISEGNRNRHRAWALRELQDIKKEIENKAPGSQVWIQTLRLAILQADPTPADLEQLCQYIASPVDQTAHMTSLTAAIAAEAANTLQGFNP... | 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: CNC(=O)C1=CC=C(C=C1F)N1C(=S)N(C(=O)C11CCC1)C1=CC(=C(N=C1)C#N)C(F)(F)F | This approved drug compound targets the protein with sequence: MWGLAGGRLFGIFSAPVLVAVVCCAQSVNDPGNMSFVKETVDKLLKGYDIRLRPDFGGPPVCVGMNIDIASIDMVSEVNMDYTLTMYFQQYWRDKRLAYSGIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWRGGDKAV... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MARFGDEMPARYGGGGSGAAAGVVVGSGGGRGAGGSRQGGQPGAQRMYKQSMAQRARTMALYNPIPVRQNCLTVNRSLFLFSEDNVVRKYAKKITEWPPFEYMILATIIANCIVLALEQHLPDDDKTPMSERLDDTEPYFIGIFCFEAGIKIIALGFAFHKGSYLRNGWNVMDFVVVLTGILATVGTEFDLRTLRAVRVL... |
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: MKTVTVKIETLSHDGRGVGRLNGKAIFVEEAVPGDVAEIRITGRQPSYEEAKIVRLIDSSEDRVEAFCPHYETCGGCQLQHLSIDAQRKWKASHFYTALSKAVNMKACQIEAPLVGHDHAYRRRARLVLGKNKTDKEARFGFRAKGSNEIVDIEQCPLLTPALNEALNQKRTAVLPHASRALKEISVVDADNGIFWSDQA... | 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: CC(=O)NCCCS(O)(=O)=O | This approved drug compound targets the protein with sequence: MLLLLLLAPLFLRPPGAGGAQTPNATSEGCQIIHPPWEGGIRYRGLTRDQVKAINFLPVDYEIEYVCRGEREVVGPKVRKCLANGSWTDMDTPSRCVRICSKSYLTLENGKVFLTGGDLPALDGARVDFRCDPDFHLVGSSRSICSQGQWSTPKPHCQVNRTPHSERRAVYIGALFPMSGGWPGGQACQPAVEMALEDVN... |
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: MFEQEAWQPSAPIKTLFTRAKIIREIRKFFTERGLLEVETPVLSEFGVTDVHLSTFNTEFIAPIGENSKTLWLMTSPEYHMKRLLAAGSGAIFQICRVFRNEEAGSRHNPEFTMLEWYRPHFDMYRLINEVDDLLQQILDCEPAESFSYQFVFQQYVGLDPLSAPRAELVAKAREHHFMCDENEERDTLLEFLFSTVVEP... | 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: C=C(Cn1cnc2ccccc2c1=O)C(=O)c1ccc(Cl)cc1
Protein sequence: MEIFKKASSIIETLKQQGHEAYFVGGSVRDLIIDRPIGDIDIATSALPEEVMGIFPRHVPVGLEHGTVIVVENGEPYEVTTFRTESEYEDFRRPSSVQFVRSLEEDLKRRDFTMNAIAMTEEGEMVDLFAGQEAIQKREIVTVGNAADRFQEDALRMMRGIRFVSTLGFSLETKTKQAIETYGHLLEHIAIERITVEFEK... | 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. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCCCOC1=CC=C(OCCCN2CCOCC2)C=C1 | This approved drug compound targets the protein with sequence: MAQALLVPPGPESFRLFTRESLAAIEKRAAEEKAKKPKKEQDNDDENKPKPNSDLEAGKNLPFIYGDIPPEMVSEPLEDLDPYYINKKTFIVMNKGKAIFRFSATSALYILTPLNPVRKIAIKILVHSLFSMLIMCTILTNCVFMTLSNPPDWTKNVEYTFTGIYTFESLIKILARGFCLEDFTFLRDPWNWLDFSVIVM... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C | This approved drug compound targets the protein with sequence: MVNLRNAVHSFLVHLIGLLVWQSDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKV... |
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: MRVILLGPPGAGKGTQAVKIAKEFDIPHISTGDIFRQNLRDNTDLGKLAKEYMDKGLLVPDEVTNKIVEDRLEKDDCQKGFLLDGYPRNVAQAEELDRFLHDKGIHLDCVLNIEVDREALIERITGRRVCPNCGATYHIKTSPPAVDNVCDKCGAQLIQRSDDKLESVVKRLEVYESQTKPLIEYYTKKNTLVNIDGNKS... | 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 a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: C=CCN1CCC(Nc2nc3cccnc3n2Cc2ccccc2)CC1
Protein sequence: MKNLVVVDHPLIKHKLTIMRDKNTGPKEFRELLKEITLLLAYEATRHLKCEEVEVETPITKTTGYRINDKDIVVVPILRAGLVMADGILELLPNASVGHIGIYRDPETLRAVEYYAKLPPLDGDKEVFLLDPMLATGVSSVKALDILKENGARKITLVALIAAPEGVEAVEEKHSDVKIYVAALDERLNDHGYIIPGLGD... | 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. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCN(CC)CCOC(=O)C1=C(Cl)C=C(N)C=C1 | This approved drug compound targets the protein with sequence: MAQALLVPPGPESFRLFTRESLAAIEKRAAEEKAKKPKKEQDNDDENKPKPNSDLEAGKNLPFIYGDIPPEMVSEPLEDLDPYYINKKTFIVMNKGKAIFRFSATSALYILTPLNPVRKIAIKILVHSLFSMLIMCTILTNCVFMTLSNPPDWTKNVEYTFTGIYTFESLIKILARGFCLEDFTFLRDPWNWLDFSVIVM... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COc1cccc2c1CCN(CCCc1c[nH]c3ccc(F)cc13)C2
Protein sequence: MLERYANEEMKALWNEQTKFETYLEVEKAVVRAWNKLGQIQDSDCEKICLKAAFNLERIKEIEKTTKHDLIAFTTCVAESLGEESRFFHYGITSSDCIDTAMALLMTKSLKLIQKGVKNLYETLKNRALEHQDTLMVGRSHGVFGEPITFGLVLALFADEIKRHLKALDLTMEFISVGAISGAMGNFAHAPLELEELACG... | Yes, this compound binds to the given protein target. The SMILES structure COc1cccc2c1CCN(CCCc1c[nH]c3ccc(F)cc13)C2 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: MGTSHPAFLVLGCLLTGLSLILCQLSLPSILPNENEKVVQLNSSFSLRCFGESEVSWQYPMSEEESSDVEIRNEENNSGLFVTVLEVSSASAAHTGLYTCYYNHTQTEENELEGRHIYIYVPDPDVAFVPLGMTDYLVIVEDDDSAIIPCRTTDPETPVTLHNSEGVVPASYDSRQGFNGTFTVGPYICEATVKGKKFQT... |
Does the following compound bind to the given protein target? | Compound SMILES: CC(=O)[C@H]1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12C
Protein sequence: MNIEKGTETVKKGMAQMQKGGVIMDVTTPEQAKIAEKAGAVAVMALEKVPADIRAGGGVARMADPEVIKKIMDAVSIPVMAKARIGHFVEARILENLGVDYIDESEVLTPADEYYHIDKNKFTVPFVCGARNLGEALRRVGEGASMMRTKGEAGTGNVVEAVRHIRTVMDGIRKVQNLPDDELMTEAKNIGAPYDLIKQV... | Yes, this compound binds to the given protein target. The SMILES structure CC(=O)[C@H]1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12C has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: O=c1cc(-c2cccc([N+](=O)[O-])c2)oc2cccc(Br)c12
Protein sequence: MKTVTVKDLVIGTGAPKIIVSLMAKDIASVKSEALAYREADFDILEWRVDHYADLSNVESVMAAAKILRETMPEKPLLFTFRSAKEGGEQAISTEAYIALNRAAIDSGLVDMIDLELFTGDDQVKETVAYAHAHDVKVVMSNHDFHKTPEAEEIIARLRKMQSFDADIPKIALMPQSTSDVLTLLAATLEMQEQYADRPI... | Yes, this compound binds to the given protein target. The SMILES structure O=c1cc(-c2cccc([N+](=O)[O-])c2)oc2cccc(Br)c12 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: [Zn++].CC([O-])=O.CC([O-])=O | This approved drug compound targets the protein with sequence: MSRLPVLLLLQLLVRPGLQAPMTQTTPLKTSWVNCSNMIDEIITHLKQPPLPLLDFNNLNGEDQDILMENNLRRPNLEAFNRAVKSLQNASAIESILKNLLPCLPLATAAPTRHPIHIKDGDWNEFRRKLTFYLKTLENAQAQQTTLSLAIF |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CN(C)CC\C=C1\C2=CC=CC=C2SC2=CC=C(Cl)C=C12 | This approved drug compound targets the protein with sequence: MANFTPVNGSSGNQSVRLVTSSSHNRYETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGAFSMNLYTVYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTA... |
What is the biological target of this clinically approved compound? | Drug SMILES: CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 | This approved drug compound targets the protein with sequence: MKAHPKEMVPLMGKRVAAPSGNPAILPEKRPAEITPTKKSAHFFLEIEGFEPNPTVAKTSPPVFSKPMDSNIRQCISGNCDDMDSPQSPQDDVTETPSNPNSPSAQLAKEEQRRKKRRLKKRIFAAVSEGCVEELVELLVELQELCRRRHDEDVPDFLMHKLTASDTGKTCLMKALLNINPNTKEIVRILLAFAEENDIL... |
What is the biological target of this clinically approved compound? | Drug SMILES: OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 | This approved drug compound targets the protein with sequence: MALSELALVRWLQESRRSRKLILFIVFLALLLDNMLLTVVVPIIPSYLYSIKHEKNATEIQTARPVHTASISDSFQSIFSYYDNSTMVTGNATRDLTLHQTATQHMVTNASAVPSDCPSEDKDLLNENVQVGLLFASKATVQLITNPFIGLLTNRIGYPIPIFAGFCIMFVSTIMFAFSSSYAFLLIARSLQGIGSSCSS... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | 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: MASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYP... |
Does the following compound bind to the given protein target? | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MRTATLYRYSVPMEAGVILRHQRLKSRDGLLVKLQQGELSGWGEIAPLPEFSQETLDQAQVAAECWLQHWVSGVESDDSVLPSVAFGLSCAQAELKQTLPLSADYRKASLCTGDPDELFAVLQALPGEKVAKVKVGLYEAVRDGMIVNVLLEALPDLTLRLDANRSWSRAKADGFAKYVNPALRSRIAFLEEPCKTRAES... | 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: COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O
Protein sequence: MAQFFKAKPNSSKQLSAKVTLEVTKLDHLGAGMAQHQGKIVFIPGALPNEKVTVQLTEQKKRHARAKLLKIESDSNDRVEPKCPHYQQCGGCDLQHLSIDKQRSYKQSALVDLMAKLSHTEAESLAPALIGQEWDYRRRARLATHYNKESKQITLGFRASASKQVINIDVCPVLAKPLSDLIAPLSLLLNQLSGKKALGH... | 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. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CN(C)C(=O)CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N
Protein sequence: MSVDMKLNRAQFDAVMVPNYAPAAVIPVRGEGSRVWDQEGNEFIDFAGGIAVNCLGHCHPALVNALKTQGEKLWHLSNVMTNEPALELATKLVNSTFAERVYFANSGAEANEAALKLARRYALEKHGVEKDEIIAFDKAFHGRTFFTVSVGGQAAYSDGFGPKPQSITHLPFNDVAALEAAVSDKTCAIMLEPL... | Yes, this compound binds to the given protein target. The SMILES structure CN(C)C(=O)CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N 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: MSRYVGAIDQGTTSSRFIVFDREGSVIALAQAEHAQIYPAPGHVEHDATEIWTKTQSVMREALEKGGLQPSDLAAVGITNQRETTLIWDRKTGKPLHNALVWQDTRNDRLVAEFARDGGRDRFRDLTGLPLASYFSGLKLRWLLDHVAGARAKAEAGDVLFGNIDTWLVWNLTGGTEGGLHVTDVTNASRTQLMSLKTLE... | 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: CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 | This approved drug compound targets the protein with sequence: MTFRDLLSVSFEGPRPDSSAGGSSAGGGGGSAGGAAPSEGPAVGGVPGGAGGGGGVVGAGSGEDNRSSAGEPGSAGAGGDVNGTAAVGGLVVSAQGVGVGVFLAAFILMAVAGNLLVILSVACNRHLQTVTNYFIVNLAVADLLLSATVLPFSATMEVLGFWAFGRAFCDVWAAVDVLCCTASILSLCTISVDRYVGVRH... |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MRTLWIMAVLLLGVEGSLIQFETLIMKVAKKSGMFSYSAYGCYCGWGGQGQPQDATDRCCFVHDCCYGKVTGCDPKMDIYTYSEENGDIVCGGDDPCRKAVCECDKAAAICFRDNKDTYDWKKYWRFPTKNCQESVPC | 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: CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 | This approved drug compound targets the protein with sequence: MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATGYHFNVMTCEGCKGFFRRAMKRNARLRCPFRKGACEITRKTRRQCQACRLRKCLESGMKKEMIMSDEAVEERRALIKRKKSERTGTQPLGVQGLTEEQRMMIRELMDAQMKTFDTTFSHFKNFRLPGVLSSGCELPESLQAPSREEAAKWS... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: Cc1ccccc1N1CCN(CCCCN2CC(=O)N3CCCCC3C2=O)CC1
Protein sequence: MVWTSHPVKRLAGAIRAPGDKSCSHRALIFGGLAEGESRFSGLLEGDDVLRTGQAMEAMGATVTRTGPGSWDVTGVGAKGLSSPKGVLDFGNSGTGSRLLMGVMAGYDLTASLTGDASLCSRPMNRVLNPLRQMGLKDTAGPDGKLPFTLTGSKSLKAIRYAPPQASAQVKSAVLLAGLNAEGETVVAEAKATRDHTERM... | 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. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: Cn1cncc1CN[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(C#N)=C(c2cccc3ccccc23)C1
Protein sequence: MKNRRYEVEILQIEGIYQSDPTTIFNQLCNKKKCTLLLESAEIDKKHALESMIIIDSALRISSLDNIVTIEALTENGKSLLFKLDLLLPLTVKNVLFENSRRLIFPFINHEIDEDKKLRSVSIFDTFRLLIKTMKIPKNLTKSMFFGGLFSYDLVNNFEKLPILNRNQKCPDLCFYLAETLLILDHKKKNCIIQSSLFNR... | Yes, this compound binds to the given protein target. The SMILES structure Cn1cncc1CN[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(C#N)=C(c2cccc3ccccc23)C1 has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MQVYYDKDCDLSIIQGKKVAVIGYGSQGHAHACNLNDSGVDVTVGLRPGSSSIAKAEAHGLKVSDVPAAVAAADVVMILTPDEFQSQLYKNEIEPNLKEGATLAFAHGFAIHYNQVVPRKDLDVIMIAPKAPGHTVRSEFVKGGGIPDLVAIFQDASGNAKDVALSYACGVGGGRTGIIETTFKDETETDLFGEQAVLCG... | 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: BrC1=CC2=C(NC(=O)CN=C2C2=CC=CC=N2)C=C1 | This approved drug compound targets the protein with sequence: MLSKVLPVLLGILLILQSRVEGPQTESKNEASSRDVVYGPQPQPLENQLLSEETKSTETETGSRVGKLPEASRILNTILSNYDHKLRPGIGEKPTVVTVEISVNSLGPLSILDMEYTIDIIFSQTWYDERLCYNDTFESLVLNGNVVSQLWIPDTFFRNSKRTHEHEITMPNQMVRIYKDGKVLYTIRMTIDAGCSLHML... |
Identify the protein target for the following approved drug compound. | Drug SMILES: COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC | This approved drug compound targets the protein with sequence: MEPAAGFLSPRPFQRAAAAPAPPAGPGPPPSALRGPELEMLAGLPTSDPGRLITDPRSGRTYLKGRLLGKGGFARCYEATDTETGSAYAVKVIPQSRVAKPHQREKILNEIELHRDLQHRHIVRFSHHFEDADNIYIFLELCSRKSLAHIWKARHTLLEPEVRYYLRQILSGLKYLHQRGILHRDLKLGNFFITENMELK... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MDLAALRAKTPDHWKLATAIRVLAIDAVQAANSGHPGMPMGMADVATVLFRNHLKFDAKAPNWADRDRFVLSAGHGSMLLYALLHLTGYEQATLDEVKNFRQWGARMAGHPEYGHLEGVETTTGPLGQGISTAVGMAIAEKSMAARFGKKLVDHKIWVIAGDGCLMEGISQEAIGLAGKQELDNLIVLWDNNNITIDGRV... | 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: CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12
Protein sequence: MTNIRKTHPLLKIINSSFVDLPAPSSLSSWWNFGSLLGVCFGVQILTGLFLAMHYTSDTATAFNSVTHICRDVNYGWLLRYLHANGASMFFICLYLHVGRGLYYGSYTYSETWNIGILLLFAVMATAFMGYVLPWGQMSFWGATVITNLLSAIPYIGTDLVQWIWGGFSVDKATLTRFFAFHFLPPFIVTALVMVHLLFL... | 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. |
What is the biological target of this clinically approved compound? | Drug SMILES: C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C | This approved drug compound targets the protein with sequence: MAAAPRTVLISGCSSGIGLELAVQLAHDPKKRYQVVATMRDLGKKETLEAAAGEALGQTLTVAQLDVCSDESVAQCLSCIQGEVDVLVNNAGMGLVGPLEGLSLAAMQNVFDTNFFGAVRLVKAVLPGMKRRRQGHIVVISSVMGLQGVIFNDVYAASKFALEGFFESLAIQLLQFNIFISLVEPGPVVTEFEGKLLAQV... |
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: MFHLRTCAAKLRPLTASQTVKTFSQNKPAAIRTFQQIRCYSAPVAAEPFLSGTSSNYVEEMYCAWLENPKSVHKSWDIFFRNTNAGAPPGTAYQSPLSLSRSSLATMAHAQSLVEAQPNVDKLVEDHLAVQSLIRAYQIRGHHVAQLDPLGILDADLDSSVPADIISSTDKLGFYGLHESDLDKVFHLPTTTFIGGQEPA... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CNCC[S+]([O-])CP(=O)(O)O has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCC(=O)N(C1=CC=CC=C1)C1(COC)CCN(CCC2=CC=CS2)CC1 | This approved drug compound targets the protein with sequence: MDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCPPTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAI... |
What is the biological target of this clinically approved compound? | Drug SMILES: CCCOC1=CC(N)=CC=C1C(=O)OCCN(CC)CC | This approved drug compound targets the protein with sequence: MAMLPPPGPQSFVHFTKQSLALIEQRIAERKSKEPKEEKKDDDEEAPKPSSDLEAGKQLPFIYGDIPPGMVSEPLEDLDPYYADKKTFIVLNKGKTIFRFNATPALYMLSPFSPLRRISIKILVHSLFSMLIMCTILTNCIFMTMNNPPDWTKNVEYTFTGIYTFESLVKILARGFCVGEFTFLRDPWNWLDFVVIVFAY... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21 | This approved drug compound targets the protein with sequence: MEGDSYHNATTVNGTPVNHQPLERHRLWEVITIAAVTAVVSLITIVGNVLVMISFKVNSQLKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWALGSLACDLWLALDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLISFILWAPAILCWQYLVGKRTVPLDECQIQFLSEPTITFGTAIA... |
Describe the drug-target relationship for the following approved small molecule. | 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: MSKSKCSVGLMSSVVAPAKEPNAVGPKEVELILVKEQNGVQLTSSTLTNPRQSPVEAQDRETWGKKIDFLLSVIGFAVDLANVWRFPYLCYKNGGGAFLVPYLLFMVIAGMPLFYMELALGQFNREGAAGVWKICPILKGVGFTVILISLYVGFFYNVIIAWALHYLFSSFTTELPWIHCNNSWNSPNCSDAHPGDSSGD... |
Identify the protein target for the following approved drug compound. | Drug SMILES: N[C@@H]([C@H](O)C1=CC(O)=C(O)C=C1)C(O)=O | This approved drug compound targets the protein with sequence: MTFRDLLSVSFEGPRPDSSAGGSSAGGGGGSAGGAAPSEGPAVGGVPGGAGGGGGVVGAGSGEDNRSSAGEPGSAGAGGDVNGTAAVGGLVVSAQGVGVGVFLAAFILMAVAGNLLVILSVACNRHLQTVTNYFIVNLAVADLLLSATVLPFSATMEVLGFWAFGRAFCDVWAAVDVLCCTASILSLCTISVDRYVGVRH... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CN1C2=C(NC=N2)C(=O)N(C)C1=O | This approved drug compound targets the protein with sequence: MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLAAADVAVGLFAIPFAITISLGFCTDFYGCLFLACFVLVLTQSSIFSLLAVAVDRYLAICVPLRYKSLVTGTRARGVIAVLWVLAFGIGLTPFLGWNSKDSATNNCTEPWDGTTNESCCLVKCLFENVVPMSYMVYFNFFGCVLPPLLIMLV... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: C=C(Cn1cnc2ccccc2c1=O)C(=O)c1ccc(Cl)cc1
Protein sequence: MVKRGKKTKYLFVTGGVVSSLGKGLSAASIGALLENRGLEVQHLKLDPYINVDPGTMSPFQHGEVFVTDDGAETDLDLGHYERFTSAKMTRRNNYTTGRIYQNVIQRERRGEYLGKTVQVIPHITDEIKAVIREAAGGADILIVEVGGTVGDIESLPFLEAIRQMKYDVGEENAVYAHLTLVPFIAAAGELKTKPTQHSV... | 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. |
What is the biological target of this clinically approved compound? | Drug SMILES: FC(F)OC(F)(F)C(F)Cl | This approved drug compound targets the protein with sequence: MDGSGERSLPEPGSQSSAASDDIEIVVNVGGVRQVLYGDLLSQYPETRLAELINCLAGGYDTIFSLCDDYDPGKREFYFDRDPDAFKCVIEVYYFGEVHMKKGICPICFKNEMDFWKVDLKFLDDCCKSHLSEKREELEEIARRVQLILDDLGVDAAEGRWRRCQKCVWKFLEKPESSCPARVVAVLSFLLILVSSVVMC... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: C1C2CNCC1C1=C2C=C2N=CC=NC2=C1 | This approved drug compound targets the protein with sequence: MRCSPGGVWLALAASLLHVSLQGEFQRKLYKELVKNYNPLERPVANDSQPLTVYFSLSLLQIMDVDEKNQVLTTNIWLQMSWTDHYLQWNVSEYPGVKTVRFPDGQIWKPDILLYNSADERFDATFHTNVLVNSSGHCQYLPPGIFKSSCYIDVRWFPFDVQHCKLKFGSWSYGGWSLDLQMQEADISGYIPNGEWDLVG... |
Does the following compound bind to the given protein target? | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MISYSLPNERPNDFSRVIPVVKDIIESVKTKGDNALYELTEKLDKVKIDNIKAREEELKTQASKLDPKVKQAIDTAYEQLKAFHEMLVPPNIGGGYQGISFGVIWRSIEKIGIYVPSGKYSYPSTLLMAGIPAKVAKVKEIYVASPPTQEGTVNPALAYVAIKLGVNEVYKIGGAQAIAALAFGTESVKKVYKIVGPGNV... | 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: NS(=O)(=O)CC1=NOC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MVVMNSLRVILQASPGKLLWRKFQIPRFMPARPCSLYTCTYKTRNRALHPLWESVDLVPGGDRQSPINIRWRDSVYDPGLKPLTISYDPATCLHVWNNGYSFLVEFEDSTDKSVIKGGPLEHNYRLKQFHFHWGAIDAWGSEHTVDSKCFPAELHLVHWNAVRFENFEDAALEENGLAVIGVFLKLGKHHKELQKLVDTL... |
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