instruction stringclasses 8
values | input stringlengths 16 761 | output stringlengths 112 280 |
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Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C | This approved drug compound targets the protein with sequence: METTPLNSQKQLSACEDGEDCQENGVLQKVVPTPGDKVESGQISNGYSAVPSPGAGDDTRHSIPATTTTLVAELHQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSC... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MTLEMLPEQIQESKIYREWGLTDEEYLKIKDEILGGRLPNFTETGMYAVMWSEHCCYKNSKPVLKKFPTTGPQVLMGPGEGAGVVDIGDDLAVVFKAESHNHPSYVEPYEGAATGSGGIIRDIFSMGARPIAILDSLRFGPIDNGKTRHIVDQVTAGIAGYGNCIGIPTVGGEVAFDESYAGNPLVNVMCVGLIEHKHIQ... | 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: [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: MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECV... |
What is the biological target of this clinically approved compound? | Drug SMILES: C[N+](C)(C)CCO | This approved drug compound targets the protein with sequence: MDAQCSAKVNARKRRKEAPGPNGATEEDGVPSKVQRCAVGLRQPAPFSDEIEVDFSKPYVRVTMEEASRGTPCERPVRVYADGIFDLFHSGHARALMQAKNLFPNTYLIVGVCSDELTHNFKGFTVMNENERYDAVQHCRYVDEVVRNAPWTLTPEFLAEHRIDFVAHDDIPYSSAGSDDVYKHIKEAGMFAPTQRTEGI... |
Identify the protein target for the following approved drug compound. | Drug SMILES: NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O | This approved drug compound targets the protein with sequence: MSTESMIRDVELAEEALPKKTGGPQGSRRCLFLSLFSFLIVAGATTLFCLLHFGVIGPQREEFPRDLSLISPLAQAVRSSSRTPSDKPVAHVVANPQAEGQLQWLNRRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVF... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CCCCOC(=O)C1=CC=C(N)C=C1 | This approved drug compound targets the protein with sequence: MEPSSPQDEGLRKKQPKKPVPEILPRPPRALFCLTLENPLRKACISIVEWKPFETIILLTIFANCVALAVYLPMPEDDNNSLNLGLEKLEYFFLIVFSIEAAMKIIAYGFLFHQDAYLRSGWNVLDFTIVFLGVFTVILEQVNVIQSHTAPMSSKGAGLDVKALRAFRVLRPLRLVSGVPSLQVVLNSIFKAMLPLFHIA... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COc1cc2c(cc1OC)[C@H]1C[C@@](O)(C(C)(C)C)[C@H](CC(C)C)CN1CC2
Protein sequence: MSENMAYECLKYSNENINRALEALRAGKMIQIYDSDSREGETDLVIPAKAVTYTDVKWMRKDAGGLICVAVDPVASKQLKLPFMADLVREASKTSDSLGEVVEKDGDLKYDAHSSFSLWVNHRDTRTGIPDIERALTIRKIGEITEESLSGNGVRFGNEFRTPGHVALLRAAEGLLDERMGQTELSVALARMAGITPAMV... | Yes, this compound binds to the given protein target. The SMILES structure COc1cc2c(cc1OC)[C@H]1C[C@@](O)(C(C)(C)C)[C@H](CC(C)C)CN1CC2 has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MRSDMIKKGDHQAPARSLLHATGALKNPTDMNKPFVAICNSYIDIVPGHVHLRELADIAKEAIREAGAIPFEFNTIGVDDGIAMGHIGMRYSLPSREIIADAAETVINAHWFDGVFYIPNCDKITPGMLLAAVRTNVPAIFCSGGPMKAGLSAQGKALTLSSMFEAVGAFKEGKLSKEAFLDMEQNACPTCGSCAGMFTA... | 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: CCCN1C2=C(NC=N2)C(=O)NC1=O | This approved drug compound targets the protein with sequence: MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLAAADVAVGLFAIPFAITISLGFCTDFYGCLFLACFVLVLTQSSIFSLLAVAVDRYLAICVPLRYKSLVTGTRARGVIAVLWVLAFGIGLTPFLGWNSKDSATNNCTEPWDGTTNESCCLVKCLFENVVPMSYMVYFNFFGCVLPPLLIMLV... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC | This approved drug compound targets the protein with sequence: MGNASNDSQSEDCETRQWLPPGESPAISSVMFSAGVLGNLIALALLARRWRGDVGCSAGRRSSLSLFHVLVTELVFTDLLGTCLISPVVLASYARNQTLVALAPESRACTYFAFAMTFFSLATMLMLFAMALERYLSIGHPYFYQRRVSRSGGLAVLPVIYAVSLLFCSLPLLDYGQYVQYCPGTWCFIRHGRTAYLQLY... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MVEKFDKIYDYYVDKSYEPNKKRDIIAVFRITPAEGYTIEQVAGGVAAESSTGTWTTLYNWYEEERWADLSAKAYDFIDMGDGSWIVKIAYPFHAFEEANLPGLLASIAGNVFGMRRAKGLRLEDMYFPEKLIREFSGPAFGIEGVRKMLEIKDRPIYGVVPKPKVGYSPEEFEKLSYELLLNGADYMKDDENLTSPWYN... | 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: NS(=O)(=O)C1=CC(=CC(N2CCCC2)=C1OC1=CC=CC=C1)C(O)=O | This approved drug compound targets the protein with sequence: MSLNNSSNVFLDSVPSNTNRFQVSVINENHESSAAADDNTDPPHYEETSFGDEAQKRLRISFRPGNQECYDNFLQSGETAKTDASFHAYDSHTNTYYLQTFGHNTMDAVPKIEYYRNTGSISGPKVNRPSLLEIHEQLAKNVAVTPSSADRVANGDGIPGDEQAENKEDDQAGVVKFGWVKGVLVRCMLNIWGVMLFIRL... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC(CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1 | This approved drug compound targets the protein with sequence: MTFRDLLSVSFEGPRPDSSAGGSSAGGGGGSAGGAAPSEGPAVGGVPGGAGGGGGVVGAGSGEDNRSSAGEPGSAGAGGDVNGTAAVGGLVVSAQGVGVGVFLAAFILMAVAGNLLVILSVACNRHLQTVTNYFIVNLAVADLLLSATVLPFSATMEVLGFWAFGRAFCDVWAAVDVLCCTASILSLCTISVDRYVGVRH... |
Does the following compound bind to the given protein target? | Compound SMILES: CC(Cc1ccccc1)NCC=C1c2ccccc2CCc2ccccc21
Protein sequence: MVKVNGNYLKLKAGYLFPEIGRRVKAFSSANPEAQLIRLGIGDVTEPLPQACRDAMKSAIDEMGTAEGFHGYGPEQGYAWLREAIARDDFQARGCEISAEEIFVSDGSKCDSSNILDILGSGNRIAVTDPVYPVYVDSNVMAGRTGESGDDGRYGGLTYLPISADNGFAAQIPSEPVDLIYLCYPNNPTGAVATKAQLKK... | 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. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: COC1=CC2=C(C=C1)C=C(CCC(C)=O)C=C2 | This approved drug compound targets the protein with sequence: MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRSNLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRFLLRRKFIPDPQGTNLMFAFF... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12
Protein sequence: MINLRKTHPLMKIINHSFIDLPAPSNISAWWNFGSLLGICLMIQILTGLFLAMHYTSDTLTAFSSVAHICRDVNYGWLIRNLHANGASMFFMCLFLHVGRGIYYGSYLYKETWNIGVILLLTVMATAFVGYVLPWGQMSFWGATVITNLLSAIPYIGTTLAEWIWGGFSVDKATLTRFFAFHFILPFIITALVIVHLLFL... | 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: N[C@@H](CCC(O)=O)C(O)=O | This approved drug compound targets the protein with sequence: MKFLIFAFFGGVHLLSLCSGKAICKNGISKRTFEEIKEEIASCGDVAKAIINLAVYGKAQNRSYERLALLVDTVGPRLSGSKNLEKAIQIMYQNLQQDGLEKVHLEPVRIPHWERGEESAVMLEPRIHKIAILGLGSSIGTPPEGITAEVLVVTSFDELQRRASEARGKIVVYNQPYINYSRTVQYRTQGAVEAAKVGAL... |
Identify the protein target for the following approved drug compound. | Drug SMILES: C(\C=C\C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MSESEGGKDTTPEPSPANGAGPGPEWGLCPGPPAVEGESSGASGLGTPKRRNQHSKHKTVAVASAQRSPRALFCLTLANPLRRSCISIVEWKPFDILILLTIFANCVALGVYIPFPEDDSNTANHNLEQVEYVFLVIFTVETVLKIVAYGLVLHPSAYIRNGWNLLDFIIVVVGLFSVLLEQGPGRPGDAPHTGGKPGGF... |
Identify the protein target for the following approved drug compound. | Drug SMILES: COC(=O)C(C1CCCCN1)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYST... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPSGNYVGDSDLQLERISVYYNEASSHKYVPRAILVDLEPGTMDSVRSGAFGHLFRPDNFIFGQSGAGNNWAKGHYTEGAELVDSVLDVVRKECENCDCLQGFQLTHSLGGGTGSGMGTLLISKVREEYPDRIMNTFSVVPSPKVSDTVVEPYNATLSIHQLVENTDETY... | 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: CC1=CN=C(NC2=CC=C(OCCN3CCCC3)C=C2)N=C1NC1=CC=CC(=C1)S(=O)(=O)NC(C)(C)C | This approved drug compound targets the protein with sequence: MQYLNIKEDCNAMAFCAKMRSSKKTEVNLEAPEPGVEVIFYLSDREPLRLGSGEYTAEELCIRAAQACRISPLCHNLFALYDENTKLWYAPNRTITVDDKMSLRLHYRMRFYFTNWHGTNDNEQSVWRHSPKKQKNGYEKKKIPDATPLLDASSLEYLFAQGQYDLVKCLAPIRDPKTEQDGHDIENECLGMAVLAISHY... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)cc1OC
Protein sequence: MSDTKVYRASTTAPVNIAVVKYWGKRDAKLNLPTNSSLSVTLSQDDLRTLTTASCSSTFTDGDSLTLNGESSDISGARTQACFRELRSRRAALEQADSSLPKLSSYPLKIVSENNFPTAAGLASSAAGFAALVQAIAFLYELPDSPSDLSLIARQGSGSACRSLFGGYVAWRMGEKEDGSDSKADLVAPASHWPEMRALI... | Yes, this compound binds to the given protein target. The SMILES structure COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)cc1OC has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: FC(F)OC(F)(F)C(F)Cl | This approved drug compound targets the protein with sequence: MDVCGWKEMEVALVNFDNSDEIQEEPGYATDFDSTSPKGRPGGSSFSNGKILISESTNHETAFSKLPGDYADPPGPEPVVLNEGNQRVIINIAGLRFETQLRTLSQFPETLLGDREKRMQFFDSMRNEYFFDRNRPSFDGILYYYQSGGKIRRPANVPIDIFADEISFYELGSEAMDQFREDEGFIKDPETLLPTNDIHR... |
What is the biological target of this clinically approved compound? | 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: MVNLRNAVHSFLVHLIGLLVWQSDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKV... |
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: MRIADYSVTKSILDRYGFTFKKSFGQNFLTDTNILQKIVDTAEIDKSVNVIEIGPGIGALTEFLAERAAEVMAFEIDERLVPILADTLRDFDNVQVVNQDILKADLQTQLKQFSNPDLPIKVVANLPYYITTPILMHLIESKIPFQEFVVMMQREVADRISAEPNTKAYGSLSIAVQYYMTAKIAFVVPRTVFVPAPNVD... | 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: CC(=O)OC1=CC=CC2=C1C(=O)C1=C(OC(C)=O)C=C(C=C1C2=O)C(O)=O | This approved drug compound targets the protein with sequence: MSSPTTSSLDTPLPGNGPPQPGAPSSSPTVKEEGPEPWPGGPDPDVPGTDEASSACSTDWVIPDPEEEPERKRKKGPAPKMLGHELCRVCGDKASGFHYNVLSCEGCKGFFRRSVVRGGARRYACRGGGTCQMDAFMRRKCQQCRLRKCKEAGMREQCVLSEEQIRKKKIRKQQQESQSQSQSPVGPQGSSSSASGPGAS... |
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: MEAPPGPEPMELDAPPPPAAVAAAAATAGISEKVLQKKEEGGGDAVTGHIISTTIGGKNGEPKRTISYMAERVVGTGSFGIVFQAKCLETGETVAIKKVLQDRRYKNRELQLMRAMEHPNVICLKHCFFSTTSRDELFLNLVMEYVPETLYRVLKHYSNANQRMPLIYVKLYIYQLFRGLAYIHTVPGVCHRDVKPQNVL... | 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: CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O | This approved drug compound targets the protein with sequence: MYGNYSHFMKFPAGYGGSPGHTGSTSMSPSAALSTGKPMDSHPSYTDTPVSAPRTLSAVGTPLNALGSPYRVITSAMGPPSGALAAPPGINLVAPPSSQLNVVNSVSSSEDIKPLPGLPGIGNMNYPSTSPGSLVKHICAICGDRSSGKHYGVYSCEGCKGFFKRTIRKDLIYTCRDNKDCLIDKRQRNRCQYCRYQKCL... |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O
Protein sequence: MATQFDENTVITIFGASGDLSKKKTFPALFGLYREGYLNPTTKIIGYARSKLSNEDLREKVKPFLKKPNGAKDDAKVNEFLSMVSYHAGPYDSDEGYLELKKIIEEFEAEKKVDEPHRLFYLALPPSIFIDVCSKLKENLYTESGIQRVIVEKPFGHDLQSATELQEKLAPLFSEDELFRIDHYLGKEMVKNLLLMRFGN... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CC(N)CC1=CC=CC=C1 | This approved drug compound targets the protein with sequence: METTPLNSQKQLSACEDGEDCQENGVLQKVVPTPGDKVESGQISNGYSAVPSPGAGDDTRHSIPATTTTLVAELHQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSC... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: OP(O)(=O)C(SC1=CC=C(Cl)C=C1)P(O)(O)=O | This approved drug compound targets the protein with sequence: MAMEIDSRPGGLPGSSCNLGAAREHMQAVTRNYITHPRVTYRTVCSVNGPLVVLDRVKFAQYAEIVHFTLPDGTQRSGQVLEVAGTKAIVQVFEGTSGIDARKTTCEFTGDILRTPVSEDMLGRVFNGSGKPIDKGPVVMAEDFLDINGQPINPHSRIYPEEMIQTGISPIDVMNSIARGQKIPIFSAAGLPHNEIAAQI... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2 | This approved drug compound targets the protein with sequence: MRHLPYFCRGQVVRGFGRGSKQLGIPTANFPEQVVDNLPADISTGIYYGWASVGSGDVHKMVVSIGWNPYYKNTKKSMETHIMHTFKEDFYGEILNVAIVGYLRPEKNFDSLESLISAIQGDIEEAKKRLELPEHLKIKEDNFFQVSKSKIMNGH |
What is the biological target of this clinically approved compound? | Drug SMILES: [Cl-].[Cl-].[Zn++] | This approved drug compound targets the protein with sequence: MFFWCACCLMVAWRVSASDAEHCPELPPVDNSIFVAKEVEGQILGTYVCIKGYHLVGKKTLFCNASKEWDNTTTECRLGHCPDPVLVNGEFSSSGPVNVSDKITFMCNDHYILKGSNRSQCLEDHTWAPPFPICKSRDCDPPGNPVHGYFEGNNFTLGSTISYYCEDRYYLVGVQEQQCVDGEWSSALPVCKLIQEAPKP... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCO | This approved drug compound targets the protein with sequence: MELGGPGAPRLLPPLLLLLGTGLLRASSHVETRAHAEERLLKKLFSGYNKWSRPVANISDVVLVRFGLSIAQLIDVDEKNQMMTTNVWVKQEWHDYKLRWDPADYENVTSIRIPSELIWRPDIVLYNNADGDFAVTHLTKAHLFHDGRVQWTPPAIYKSSCSIDVTFFPFDQQNCTMKFGSWTYDKAKIDLVNMHSRVDQ... |
Identify the protein target for the following approved drug compound. | Drug SMILES: [Fe++].NCC([O-])=O.NCC([O-])=O.OS(O)(=O)=O | This approved drug compound targets the protein with sequence: MPEGPELHLASQFVNEACRALVFGGCVEKSSVSRNPEVPFESSAYRISASARGKELRLILSPLPGAQPQQEPLALVFRFGMSGSFQLVPREELPRHAHLRFYTAPPGPRLALCFVDIRRFGRWDLGGKWQPGRGPCVLQEYQQFRENVLRNLADKAFDRPICEALLDQRFFNGIGNYLRAEILYRLKIPPFEKARSVLEA... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1 | This approved drug compound targets the protein with sequence: MPALARDGGQLPLLVVFSAMIFGTITNQDLPVIKCVLINHKNNDSSVGKSSSYPMVSESPEDLGCALRPQSSGTVYEAAAVEVDVSASITLQVLVDAPGNISCLWVFKHSSLNCQPHFDLQNRGVVSMVILKMTETQAGEYLLFIQSEATNYTILFTVSIRNTLLYTLRRPYFRKMENQDALVCISESVPEPIVEWVLCD... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H]N1CCCCC1C(O)(C1=CC=CC=C1)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MLPPGSNGTAYPGQFALYQQLAQGNAVGGSAGAPPLGPSQVVTACLLTLLIIWTLLGNVLVCAAIVRSRHLRANMTNVFIVSLAVSDLFVALLVMPWKAVAEVAGYWPFGAFCDVWVAFDIMCSTASILNLCVISVDRYWAISRPFRYKRKMTQRMALVMVGLAWTLSILISFIPVQLNWHRDQAASWGGLDLPNNLANW... |
What is the biological target of this clinically approved compound? | Drug SMILES: [N+]1=2[Co-3]345([N+]6=C7[C@H]([C@@](CC(=O)N)(C)[C@@]6([C@@]6(N3C(=C(C)C3=[N+]4C(C(C)(C)[C@@H]3CCC(=O)N)=CC3=[N+]5C(=C7C)[C@@](CC(=O)N)([C@@H]3CCC(=O)N)C)[C@@](C)([C@H]6CC(=O)N)CCC(NC[C@@H](C)OP(=O)(O[C@@H]3[C@H](O[C@H](N(C4=CC(=C(C=C14)C)C)C=2)[C@@H]3O)CO)[O-])=O)[H])C)CCC(=O)N)O[H] | This approved drug compound targets the protein with sequence: MLRAKNQLFLLSPHYLRQVKESSGSRLIQQRLLHQQQPLHPEWAALAKKQLKGKNPEDLIWHTPEGISIKPLYSKRDTMDLPEELPGVKPFTRGPYPTMYTFRPWTIRQYAGFSTVEESNKFYKDNIKAGQQGLSVAFDLATHRGYDSDNPRVRGDVGMAGVAIDTVEDTKILFDGIPLEKMSVSMTMNGAVIPVLANFI... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CCO | This approved drug compound targets the protein with sequence: MWRVRKRGYFGIWSFPLIIAAVCAQSVNDPSNMSLVKETVDRLLKGYDIRLRPDFGGPPVAVGMNIDIASIDMVSEVNMDYTLTMYFQQAWRDKRLSYNVIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWRGDDNAVT... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MLSRAVCGTSRQLAPVLGYLGSRQKHSLPDLPYDYGALEPHINAQIMQLHHSKHHAAYVNNLNVTEEKYQEALAKGDVTAQIALQPALKFNGGGHINHSIFWTNLSPNGGGEPKGELLEAIKRDFGSFDKFKEKLTAASVGVQGSGWGWLGFNKERGHLQIAACPNQDPLQGTTGLIPLLGIDVWEHAYYLQYKNVRPDY... |
Identify the protein target for the following approved drug compound. | Drug SMILES: ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 | This approved drug compound targets the protein with sequence: MPMPSRDGGLHPRHHHYGSHSPWSQLLSSPMETPSIKGLYYRRVRKVGALDASPVDLKKEILINVGGRRYLLPWSTLDRFPLSRLSKLRLCRSYEEIVQLCDDYDEDSQEFFFDRSPSAFGVIVSFLAAGKLVLLQEMCALSFQEELAYWGIEEAHLERCCLRKLLRKLEELEELAKLHREDVLRQQRETRRPASHSSRW... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: FC1=CC=CC=C1C1=NCC(=S)N(CC(F)(F)F)C2=C1C=C(Cl)C=C2 | This approved drug compound targets the protein with sequence: MAPKLLLLLCLFSGLHARSRKVEEDEYEDSSSNQKWVLAPKSQDTDVTLILNKLLREYDKKLRPDIGIKPTVIDVDIYVNSIGPVSSINMEYQIDIFFAQTWTDSRLRFNSTMKILTLNSNMVGLIWIPDTIFRNSKTAEAHWITTPNQLLRIWNDGKILYTLRLTINAECQLQLHNFPMDEHSCPLIFSSYGYPKEEMI... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1 | This approved drug compound targets the protein with sequence: MSSPNIWSTGSSVYSTPVFSQKMTVWILLLLSLYPGFTSQKSDDDYEDYASNKTWVLTPKVPEGDVTVILNNLLEGYDNKLRPDIGVKPTLIHTDMYVNSIGPVNAINMEYTIDIFFAQTWYDRRLKFNSTIKVLRLNSNMVGKIWIPDTFFRNSKKADAHWITTPNRMLRIWNDGRVLYTLRLTIDAECQLQLHNFPMD... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CCC(C)C1(CC)C(=O)NC(=O)NC1=O | This approved drug compound targets the protein with sequence: MNWSHSCISFCWIYFAASRLRAAETADGKYAQKLFNDLFEDYSNALRPVEDTDKVLNVTLQITLSQIKDMDERNQILTAYLWIRQIWHDAYLTWDRDQYDGLDSIRIPSDLVWRPDIVLYNKADDESSEPVNTNVVLRYDGLITWDAPAITKSSCVVDVTYFPFDNQQCNLTFGSWTYNGNQVDIFNALDSGDLSDFIED... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=c1cc(-c2cccc([N+](=O)[O-])c2)oc2cccc(Br)c12
Protein sequence: MKLVATLSSPEELELAEKADVVELRIDLFDFSGARVDKEKILTCRRVSDGGKFEGDERERIEKMKRAFDSLNPDYVDLESDLPDSAFDFNCRIIESYHNFIRTPDYSELKGIVEGRRGDLVKIATMGKSKRDVETIVRILTNYDDVVAFLMGERFSFTRVLAAYLGSPFIYCYVGSPKAPGQISLDDAREIISRLG | 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. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CC1Cc2c(OCc3ccc(-c4ccccc4)cn3)ccc3c2c(c(CCSC(C)C(=O)O)n3Cc2ccc(Cl)cc2)S1
Protein sequence: MTNIRKSHPLIKIINNSFIDLPAPSNISSWWNFGSLLGICLGLQIITGLFLAMHYTSDTATAFNSVTHICRDVNYGWILRYLHANGASMFFICLYLHVGRGLYYGSYIYSETWNIGIILLFTVMATAFMGYVLPWGQMSFWGATVITNLLSAIPYIGTELVQWIWGGFSVDKATLTRFFAFHFLLPFIISAMVMVHLLFL... | 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: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MARGGRGRRLGLALGLLLALVLAPRVLRAKPTVRKERVVRPDSELGERPPEDNQSFQYDHEAFLGKEDSKTFDQLTPDESKERLGKIVDRIDNDGDGFVTTEELKTWIKRVQKRYIFDNVAKVWKDYDRDKDDKISWEEYKQATYGYYLGNPAEFHDSSDHHTFKKMLPRDERRFKAADLNGDLTATREEFTAFLHPEEF... | 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: [Fe++].[O-]C(=O)CCC([O-])=O | This approved drug compound targets the protein with sequence: MPEGPLVRKFHHLVSPFVGQQVVKTGGSSKKLQPASLQSLWLQDTQVHGKKLFLRFDLDEEMGPPGSSPTPEPPQKEVQKEGAADPKQVGEPSGQKTLDGSSRSAELVPQGEDDSEYLERDAPAGDAGRWLRVSFGLFGSVWVNDFSRAKKANKRGDWRDPSPRLVLHFGGGGFLAFYNCQLSWSSSPVVTPTCDILSEK... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MRIYKVGGAVRDRLLGRPVTDIDWVVVGASAEEMLAKGFRPVGADFPVFLHPKSGEEYALARTERKSGRGYSGFTFHASPEVTLEEDLIRRDLTINAMAEDEQGRLTDPYNGQKDLEERLLRHVSPAFAEDPLRVLRVARFAARYAGLGFRVAPETLELMRELSESGELQALTAERSWKEISRALMEDQPQVFIQVLRDC... | 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: CN1CCC(CC1)=C1C2=C(CCC3=CC=CC=C13)SC=C2 | This approved drug compound targets the protein with sequence: MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEE... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C | This approved drug compound targets the protein with sequence: MASREDELRNCVVCGDQATGYHFNALTCEGCKGFFRRTVSKSIGPTCPFAGSCEVSKTQRRHCPACRLQKCLDAGMRKDMILSAEALALRRAKQAQRRAQQTPVQLSKEQEELIRTLLGAHTRHMGTMFEQFVQFRPPAHLFIHHQPLPTLAPVLPLVTHFADINTFMVLQVIKFTKDLPVFRSLPIEDQISLLKGAAVE... |
Identify the protein target for the following approved drug compound. | Drug SMILES: [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)C([H])(O)O[C@]3([H])O[C@@]4(C)CC[C@]1([H])[C@@]23OO4 | This approved drug compound targets the protein with sequence: MATGANATPLDFPSKKRKRSRWNQDTMEQKTVIPGMPTVIPPGLTREQERAYIVQLQIEDLTRKLRTGDLGIPPNPEDRSPSPEPIYNSEGKRLNTREFRTRKKLEEERHNLITEMVALNPDFKPPADYKPPATRVSDKVMIPQDEYPEINFVGLLIGPRGNTLKNIEKECNAKIMIRGKGSVKEGKVGRKDGQMLPGED... |
What is the biological target of this clinically approved compound? | Drug SMILES: NCCCC(O)(P(O)(O)=O)P(O)(O)=O | This approved drug compound targets the protein with sequence: MDFSKLPKILDEDKESTFGYVHGVSGPVVTACDMAGAAMYELVRVGHSELVGEIIRLEGDMATIQVYEETSGVSVGDPVLRTGKPLSVELGPGIMGAIFDGIQRPLSDISSQTQSIYIPRGVNVSALSRDIKWDFTPCKNLRVGSHITGGDIYGIVSENSLIKHKIMLPPRNRGTVTYIAPPGNYDTSDVVLELEFEGVK... |
Identify the protein target for the following approved drug compound. | Drug SMILES: C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C | This approved drug compound targets the protein with sequence: MNWSHSCISFCWIYFAASRLRAAETADGKYAQKLFNDLFEDYSNALRPVEDTDKVLNVTLQITLSQIKDMDERNQILTAYLWIRQIWHDAYLTWDRDQYDGLDSIRIPSDLVWRPDIVLYNKADDESSEPVNTNVVLRYDGLITWDAPAITKSSCVVDVTYFPFDNQQCNLTFGSWTYNGNQVDIFNALDSGDLSDFIED... |
What is the biological target of this clinically approved compound? | Drug SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C | This approved drug compound targets the protein with sequence: MVQRDMSKSPPTAAAAVAQEIQMELLENVAPAGALGAAAQSYGKGARRKNRFKGSDGSTSSDTTSNSFVRQGSADSYTSRPSDSDVSLEEDREAVRREAERQAQAQLEKAKTKPVAFAVRTNVSYSAAHEDDVPVPGMAISFEAKDFLHVKEKFNNDWWIGRLVKEGCEIGFIPSPVKLENMRLQHEQRAKQGKFYSSKS... |
Does the following compound bind to the given protein target? | Compound SMILES: COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C
Protein sequence: MPAALVENSQVICEVWASNLEEEMRKIREIVLSYSYIAMDTEFPGVVVRPIGEFRSSIDYQYQLLRCNVDLLKIIQLGLTFTNEKGEYPSGINTWQFNFKFNLTEDMYSQDSIDLLANSGLQFQKHEEEGIDTLHFAELLMTSGVVLCDNVKWLSFHSGYDFGYMVKLLTDSRLPEEEHEFFHILNLFFPSIYDVKYLMK... | 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. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC(O)=O | This approved drug compound targets the protein with sequence: MQAVDNLTSAPGNTSLCTRDYKITQVLFPLLYTVLFFVGLITNGLAMRIFFQIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGTGPLRTFVCQVTSVIFYFTMYISISFLGLITIDRYQKTTRPFKTSNPKNLLGAKILSVVIWAFMFLLSLPNMILTNRQPRDKNVKKCSFLKSEFGLVWHEIVNYICQVIFWI... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQGPQPRGRPQCKLNQEAWYILASSIGSFFAPCLIMILVYLRIYLIAK... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: C=CC[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
Protein sequence: MSAAPVVDAEYMAEVERARRDLRALIASKSCAPIMLRLAWHDAGTYDKATKTGGPNGSIRFPQEYSHAANAGIKIAIDLLEPMKQRHPKITYADLYQLAGVVAVEVTGGPTIDYVPGRRDSSDSPEEGRLPDAKKGAAHLREVFYRMGLSDKDIVALSGGHTLGKARPERSGFDGAWT... | Yes, this compound binds to the given protein target. The SMILES structure C=CC[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1 has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CC(=O)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: MGLLLLVPLLLLPGSYGLPFYNGFYYSNSANDQNLGNGHGKDLLNGVKLVVETPEETLFTYQGASVILPCRYRYEPALVSPRRVRVKWWKLSENGAPEKDVLVAIGLRHRSFGDYQGRVHLRQDKEHDVSLEIQDLRLEDYGRYRCEVIDGLEDESGLVELELRGVVFPYQSPNGRYQFNFHEGQQVCAEQAAVVASFEQ... |
Does the following compound bind to the given protein target? | Compound SMILES: CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12
Protein sequence: MANIRKSHPLLKIINQSLIDLPAPSNISTWWNFGSLLGICLGLQILTGLFLAMHYTSDTLTAFSSVTHICRDVNYGWIIRYIHANGASMFFICLFLHVGRGIYYGSYNYLETWNIGIILLFAVMATAFMGYVLPWGQMSFWGATVITNLLSAIPYVGTSLVEWIWGGFSVDKATLTRFFAFHFILPFIITALVIVHLLFL... | 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: CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYV... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | 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: MASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYP... |
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: MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCS... |
What is the biological target of this clinically approved compound? | Drug SMILES: CC(O)(P(O)(O)=O)P(O)(O)=O | This approved drug compound targets the protein with sequence: MTEQAISFAKDFLAGGIAAAISKTAVAPIERVKLLLQVQHASKQIAADKQYKGIVDCIVRIPKEQGVLSFWRGNLANVIRYFPTQALNFAFKDKYKQIFLGGVDKHTQFWRYFAGNLASGGAAGATSLCFVYPLDFARTRLAADVGKSGTEREFRGLGDCLVKITKSDGIRGLYQGFSVSVQGIIIYRAAYFGVYDTAKG... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 | This approved drug compound targets the protein with sequence: MPVMKGLLAPQNTFLDTIATRFDGTHSNFLLANAQGTRGFPIVYCSDGFCELTGYGRTEVMQKTCSCRFLYGPETSEPALQRLHKALEGHQEHRAEICFYRKDGSAFWCLLDMMPIKNEMGEVVLFLFSFKDITQSGSPGLGPQGGRGDSNHENSLGRRGATWKFRSARRRSRTVLHRLTGHFGRRGQGGMKANNNVFEP... |
Identify the protein target for the following approved drug compound. | Drug SMILES: [Cu] | This approved drug compound targets the protein with sequence: MLLSVPLLLGLLGLAVAEPAVYFKEQFLDGDGWTSRWIESKHKSDFGKFVLSSGKFYGDEEKDKGLQTSQDARFYALSASFEPFSNKGQTLVVQFTVKHEQNIDCGGGYVKLFPNSLDQTDMHGDSEYNIMFGPDICGPGTKKVHVIFNYKGKNVLINKDIRCKDDEFTHLYTLIVRPDNTYEVKIDNSQVESGSLEDDW... |
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: MLMLLVRGTHYENLRSKVVLPTPLGGRSTETFVSEFPGPDTGIRWRRSDEALRVNVGGVRRQLSARALARFPGTRLGRLQAAASEEQARRLCDDYDEAAREFYFDRHPGFFLSLLHFYRTGHLHVLDELCVFAFGQEADYWGLGENALAACCRARYLERRLTQPHAWDEDSDTPSSVDPCPDEISDVQRELARYGAARCG... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CN1N=C(S\C1=N\C(C)=O)S(N)(=O)=O | This approved drug compound targets the protein with sequence: MAKEWGYASHNGPDHWHELFPNAKGENQSPVELHTKDIRHDPSLQPWSVSYDGGSAKTILNNGKTCRVVFDDTYDRSMLRGGPLPGPYRLRQFHLHWGSSDDHGSEHTVDGVKYAAELHLVHWNPKYNTFKEALKQRDGIAVIGIFLKIGHENGEFQIFLDALDKIKTKGKEAPFTKFDPSCLFPACRDYWTYQGSFTTP... |
Identify the protein target for the following approved drug compound. | Drug SMILES: OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRSNLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRFLLRRKFIPDPQGTNLMFAFF... |
Identify the protein target for the following approved drug compound. | 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: MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVW... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CN[C@@H](C)[C@H](O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAII... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CNC1(CCCCC1=O)C1=CC=CC=C1Cl | This approved drug compound targets the protein with sequence: MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVW... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3 | This approved drug compound targets the protein with sequence: MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVW... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MVCFASLRRALPLLLRATTTTTPRFLLPRALSGGVGGGAAVDARALLRGHSGWRGLRVAARMMLDSSDSAAAAGQMQPQQRAAGAVACSAQDGGAAGYASGGWAREDGKLKCGYSSFRGKRATMEDFYDVKLTEIDGQAVSLFGVFDGHGGPRAAEYLKENLFENLLKHPEFLTDTKLAISETYQKTDTDFLESESNAFR... | 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: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MSIHQTIKRITAAEIRSRKGQEPIVSLTAYQAYSARIADPYCDFLLVGDSVGMVVHGFETTLPVSLDMMILHGQAVMRGAKKALVVIDMPFGSYEESPEQAFSNASRILAETGCGAVKLEGGVYIAETIDFLCKRGIPVMGHIGLTPQAVNRFGGFKTQGRNESNWQQIEADAAAIEEAGAFAVVVEGVVEPLAVRLTEM... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MDFELEPTLEELIKQDTLKWIFVGGKGGVGKTTTSSSIAVQLALQHPEDEFLLISTDPAHNLSDAFCQKFGKDARKVEGLSNLSCMEIDPEAAMSDLQQQAQQYNNDPNDPLKSMMNDMTGSIPGIDEALSFMEVLKHIKNQKVTESDTKDKVSYRTIIFDTAPTGHTLRFLQLPTTLQKLLGKFQQLSGKLGPMMSMLG... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MAKHTFFVTGTDTGVGKTIVSAAILEAAKAAGKRTLAMKPIASGCDQTPEGLRNEDALMLQAAITEKLPYDTINPIALEPAIAPHVAAQQAGKQVTAQRIVGFCRGMQIRPADLLLIEGAGGWRVPLNDRETYAAVPGELKLPVILVVPLQLGCINHAMLSAEAIRADGLVVAGWVGNHPEEQVMSCEQDTLNYLSTHLG... | 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: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MSNIQNHQKVVLVGDGAVGSSYAFAMAEEGIAEEFVIVDVVKVRTVGDALDLEDATPFTAPKNIYSGEYSDCKDADLVVITAGAPQKPGETRLDLVNKNLNILSTILKPVVDSGFDGIFLVAANPVDILTYATWKFSGFPKEKVIGSGISLDTARLRVALGKKFNVSPESVDAYILGEHGDSEFAAYSSATIGTKPLLEI... | 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: [H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O | This approved drug compound targets the protein with sequence: MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVW... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 | This approved drug compound targets the protein with sequence: MNSHSYNGSVGRPLGSGPGALGRDPPDPEAGHPPQPPHSPGLQVVVAKSEPARPSPGSPRGQPQDQDDDEDDEEDEAGRQRASGKPSNVGHRLGHRRALFEKRKRLSDYALIFGMFGIVVMVTETELSWGVYTKESLYSFALKCLISLSTAILLGLVVLYHAREIQLFMVDNGADDWRIAMTCERVFLISLELAVCAIHP... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: C=C(Cn1cnc2ccccc2c1=O)C(=O)c1ccc(Cl)cc1
Protein sequence: MTKYVFVTGGVVSSLGKGIAAASLAAILESRGLKVTLLKLDPYINVDPGTMSPLQHGEVFVTEDGAETDLDLGHYERFVSAKMRKSNNFTTGQIYESVISKERRGEYLGKTVQVIPHITNEIQAFVERGAKASHDGKADVAICEIGGTVGDIESLPFLEAARQMSLRLPLHSCAFVHLTLVPFISSAGELKTKPTQHSVQ... | Yes, this compound binds to the given protein target. The SMILES structure C=C(Cn1cnc2ccccc2c1=O)C(=O)c1ccc(Cl)cc1 has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O | This approved drug compound targets the protein with sequence: MVAATVAAAWLLLWAAACAQQEQDFYDFKAVNIRGKLVSLEKYRGSVSLVVNVASECGFTDQHYRALQQLQRDLGPHHFNVLAFPCNQFGQQEPDSNKEIESFARRTYSVSFPMFSKIAVTGTGAHPAFKYLAQTSGKEPTWNFWKYLVAPDGKVVGAWDPTVSVEEVRPQITALVRKLILLKREDL |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C | This approved drug compound targets the protein with sequence: MLSKVLPVLLGILLILQSRVEGPQTESKNEASSRDVVYGPQPQPLENQLLSEETKSTETETGSRVGKLPEASRILNTILSNYDHKLRPGIGEKPTVVTVEISVNSLGPLSILDMEYTIDIIFSQTWYDERLCYNDTFESLVLNGNVVSQLWIPDTFFRNSKRTHEHEITMPNQMVRIYKDGKVLYTIRMTIDAGCSLHML... |
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: MEAAVAPGRDAPAPAASQPSGCGKHNSPERKVYMDYNATTPLEPEVIQAMTKAMWEAWGNPSSPYSAGRKAKDIINAARESLAKMIGGKPQDIIFTSGGTESNNLVIHSVVKHFHANQTSKGHTGGHHSPVKGAKPHFITSSVEHDSIRLPLEHLVEEQVAAVTFVPVSKVSGQAEVDDILAAVRPTTRLVTIMLANNET... |
What is the biological target of this clinically approved compound? | Drug SMILES: OP(O)(=O)C(Cl)(Cl)P(O)(O)=O | This approved drug compound targets the protein with sequence: MTDAAVSFAKDFLAGGVAAAISKTAVAPIERVKLLLQVQHASKQITADKQYKGIIDCVVRIPKEQGVLSFWRGNLANVIRYFPTQALNFAFKDKYKQIFLGGVDKRTQFWLYFAGNLASGGAAGATSLCFVYPLDFARTRLAADVGKAGAEREFRGLGDCLVKIYKSDGIKGLYQGFNVSVQGIIIYRAAYFGIYDTAKG... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C | This approved drug compound targets the protein with sequence: MVDTESPLCPLSPLEAGDLESPLSEEFLQEMGNIQEISQSIGEDSSGSFGFTEYQYLGSCPGSDGSVITDTLSPASSPSSVTYPVVPGSVDESPSGALNIECRICGDKASGYHYGVHACEGCKGFFRRTIRLKLVYDKCDRSCKIQKKNRNKCQYCRFHKCLSVGMSHNAIRFGRMPRSEKAKLKAEILTCEHDIEDSET... |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MDNIDEDLTPEQIAVLQKAFNSFDHQKTGSIPTEMVADILRLMGQPFDRQILDELIDEVDEDKSGRLEFEEFVQLAAKFIVEEDDEAMQKELREAFRLYDKQGNGYIPTSCLKEILKELDDQLTEQELDIMIEEIDSDGSGTVDFDEFMEMMTGE | 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: CC(C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRSNLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRFLLRRKFIPDPQGTNLMFAFF... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: FC(F)OC(F)C(F)(F)F | This approved drug compound targets the protein with sequence: MKVARFQKIPNGENETMIPVLTSKKASELPVSEVASILQADLQNGLNKCEVSHRRAFHGWNEFDISEDEPLWKKYISQFKNPLIMLLLASAVISVLMHQFDDAVSITVAILIVVTVAFVQEYRSEKSLEELSKLVPPECHCVREGKLEHTLARDLVPGDTVCLSVGDRVPADLRLFEAVDLSIDESSLTGETTPCSKVTA... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H][C@@]1(CNCCO1)[C@H](OC1=CC=CC=C1OCC)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MLLARMNPQVQPENNGADTGPEQPLRARKTAELLVVKERNGVQCLLAPRDGDAQPRETWGKKIDFLLSVVGFAVDLANVWRFPYLCYKNGGGAFLIPYTLFLIIAGMPLFYMELALGQYNREGAATVWKICPFFKGVGYAVILIALYVGFYYNVIIAWSLYYLFSSFTLNLPWTDCGHTWNSPNCTDPKLLNGSVLGNHT... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CNC1(CCCCC1=O)C1=CC=CC=C1Cl | This approved drug compound targets the protein with sequence: MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNPEAPGNMGLFDQQ... |
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: MWGLAGGRLFGIFSAPVLVAVVCCAQSVNDPGNMSFVKETVDKLLKGYDIRLRPDFGGPPVCVGMNIDIASIDMVSEVNMDYTLTMYFQQYWRDKRLAYSGIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWRGGDKAV... |
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.COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C | This approved drug compound targets the protein with sequence: MLQSLAGSSCVRLVERHRSAWCFGFLVLGYLLYLVFGAVVFSSVELPYEDLLRQELRKLKRRFLEEHECLSEQQLEQFLGRVLEASNYGVSVLSNASGNWNWDFTSALFFASTVLSTTGYGHTVPLSDGGKAFCIIYSVIGIPFTLLFLTAVVQRITVHVTRRPVLYFHIRWGFSKQVVAIVHAVLLGFVTVSCFFFIPA... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)C([H])(O)O[C@]3([H])O[C@@]4(C)CC[C@]1([H])[C@@]23OO4 | This approved drug compound targets the protein with sequence: MNPTETKAIPVSQQMEGPHLPNKKKHKKQAVKTEPEKKSQSTKLSVVHEKKSQEGKPKEHTEPKSLPKQASDTGSNDAHNKKAVSRSAEQQPSEKSTEPKTKPQDMISAGGESVAGITAISGKPGDKKKEKKSLTPAVPVESKPDKPSGKSGMDAALDDLIDTLGGPEETEEENTTYTGPEVSDPMSSTYIEELGKREVT... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: C[C@H](N)CC1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYP... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCCCOC1=CC=C(C=C1)C(=O)CCN1CCCCC1 | This approved drug compound targets the protein with sequence: MEFPIGSLETNNFRRFTPESLVEIEKQIAAKQGTKKAREKHREQKDQEEKPRPQLDLKACNQLPKFYGELPAELIGEPLEDLDPFYSTHRTFMVLNKGRTISRFSATRALWLFSPFNLIRRTAIKVSVHSWFSLFITVTILVNCVCMTRTDLPEKIEYVFTVIYTFEALIKILARGFCLNEFTYLRDPWNWLDFSVITLA... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC(=O)N[C@@H](CS)C(O)=O | This approved drug compound targets the protein with sequence: MTSKGPEEEHPSVTLFRQYLRIRTVQPKPDYGAAVAFFEETARQLGLGCQKVEVAPGYVVTVLTWPGTNPTLSSILLNSHTDVVPVFKEHWSHDPFEAFKDSEGYIYARGAQDMKCVSIQYLEAVRRLKVEGHRFPRTIHMTFVPDEEVGGHQGMELFVQRPEFHALRAGFALDEGIANPTDAFTVFYSERSPWWVRVTS... |
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: MFKRRTLGFLLSFLLIYTAVFGSMPVQFAKAETDTAPAIANVVGDFQSKIGDSDWNINSDKTVMTYKGNGFYEFTTPVALPAGDYEYKVALNHSWEGGGVPSQGNLSLHLDSDSVVTFYYNYNTSSVTDSTKYTPIPEEKLPRIVGTIQSAIGAGDDWKPETSTAIMRDYKFNNVYEYTANVPKGYYEFKVTLGPSWDIN... | 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: [Fe++].NCC([O-])=O.NCC([O-])=O.OS(O)(=O)=O | This approved drug compound targets the protein with sequence: MSKRKAPQETLNGGITDMLTELANFEKNVSQAIHKYNAYRKAASVIAKYPHKIKSGAEAKKLPGVGTKIAEKIDEFLATGKLRKLEKIRQDDTSSSINFLTRVSGIGPSAARKFVDEGIKTLEDLRKNEDKLNHHQRIGLKYFGDFEKRIPREEMLQMQDIVLNEVKKVDSEYIATVCGSFRRGAESSGDMDVLLTHPSF... |
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