instruction stringclasses 8
values | input stringlengths 16 761 | output stringlengths 112 280 |
|---|---|---|
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CCN(CCCOc2ccccc2)CC1
Protein sequence: MIKKASLLTACSVTAFSAWAQDTSPDTLVVTANRFEQPRSTVLAPTTVVTRQDIDRWQSTSVNDVLRRLPGVDITQNGGSGQLSSIFIRGTNASHVLVLIDGVRLNLAGVSGSADLSQFPIALVQRVEYIRGPRSAVYGSDAIGGVVNIITTRDEPGTEISAGWGSNSYQNYDVSTQQQLGDKTRVTLLGDYAHTHGYDV... | Yes, this compound binds to the given protein target. The SMILES structure OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CCN(CCCOc2ccccc2)CC1 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: NS(=O)(=O)CC1=NOC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MLFSALLLEVIWILAADGGQHWTYEGPHGQDHWPASYPECGNNAQSPIDIQTDSVTFDPDLPALQPHGYDQPGTEPLDLHNNGHTVQLSLPSTLYLGGLPRKYVAAQLHLHWGQKGSPGGSEHQINSEATFAELHIVHYDSDSYDSLSEAAERPQGLAVLGILIEVGETKNIAYEHILSHLHEVRHKDQKTSVPPFNLRE... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MQLPFPLAEEPDAAAMETGRKLFAGQSEFLKGVVAMSGLPPADRIEVCFAGRSNVGKSSLINALTGTKGLARASNTPGRTQEINFFTQGPELYLVDLPGYGYANAPLAVVEKWQRLLKQYLSGRQTLRRAFVLIDTRHGVKKVDEEIMKLLDTSAVTFQVVMTKADKVKEKDRAKILDQVRDALSKHPAAYPEIVLTSSE... | 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: NC1=NC(F)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O | This approved drug compound targets the protein with sequence: MATPPKRSCPSFSASSEGTRIKKISIEGNIAAGKSTFVNILKQLCEDWEVVPEPVARWCNVQSTQDEFEELTMSQKNGGNVLQMMYEKPERWSFTFQTYACLSRIRAQLASLNGKLKDAEKPVLFFERSVYSDRYIFASNLYESECMNETEWTIYQDWHDWMNNQFGQSLELDGIIYLQATPETCLHRIYLRGRNEEQGI... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: O=C(Nc1ccccn1)C1C(=O)N2c3ccccc3CCc3cccc1c32
Protein sequence: MLGRPVFGLGKAITSVDVAVIDANSEWIGVKRLQLMENAGRSVAEEAAKLAKPGSRVVVFAGPGGNGGDGLVAARHLAYMGYQVTVVMIVKPEEIRSPETRAMYEALAAMDLTVDIRIARAPADVAPVEADVVIDALLGTGLRGAPRPPYSDAIEAVNSSTGLKLAVDVPSGLNSDTGETPGAYVKADITVTFHKPKPGL... | Yes, this compound binds to the given protein target. The SMILES structure O=C(Nc1ccccn1)C1C(=O)N2c3ccccc3CCc3cccc1c32 has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C
Protein sequence: MAPQQNIMKQLQQMQSSPYPSSSPSSTTVSQNNDNLNHNVHSLNNSSNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNSINEKNKINDNNNRGNSDDGNNNNSNNNSNNNNSNNNNRDDEEEEGDDEDNNNNNNSNNNKIRGYNDNNDINDIFSINFSSWSKSKDNLIENGVLIFEESGLYKELNLSKSSILNFL... | 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. |
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: MADGVFQGAIGIDLGTTYSCVATYDSAVEIIANEQGNRVTPSFVAFTSEERLIGDAAKNQAALNPKNTVFDAKRLIGRAFDDESVQKDIKSWPFKVVESNGQPLIEVEYLDETKTFSPQEISSMVLTKMKEIAEAKIGKKVEKAVVTVPAYFNDAQRQATKDAGAIAGLNVLRIINEPTAAAIAYGLGAGKSEKERHVLI... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MQMAHIGTDIIEIARIRKAIETHNQRMLNKIFTKKEQEYCLRLTNPYPSFAARFAGKEAVAKALGTGIGKVIGWKDIEILTSPKQPKVHLPPRVYKELGISKVLLSISHSREYATAMAVALV | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: COC1=C(C\C=C(/C)CCC(O)=O)C(O)=C2C(=O)OCC2=C1C | This approved drug compound targets the protein with sequence: MADYLISGGTSYVPDDGLTAQQLFNCGDGLTYNDFLILPGYIDFTADQVDLTSALTKKITLKTPLVSSPMDTVTEAGMAIAMALTGGIGFIHHNCTPEFQANEVRKVKKYEQGFITDPVVLSPKDRVRDVFEAKARHGFCGIPITDTGRMGSRLVGIISSRDIDFLKEEEHDCFLEEIMTKREDLVVAPAGITLKEANEI... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MKMIIQIFFIISLISTISFASVQDFCVADPKGPQSPSGYSCKNPDQVTENDFAFTGLGTAGNTSNIIKAAVTPAFAPAYAGINGLGVSLARLDLAGGGVIPLHTHPGASEVLVVIQGTICAGFISSANKVYLKTLNRGDSMVFPQGLLHFQLNSGKGPALAFVAFGSSSPGLQILPFALFANDLPSELVEATTFLSDAEV... | Yes, this compound binds to the given protein target. The SMILES structure Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC(C)(O)CNC1=NC(=NC(NC2=CC(=NC=C2)C(F)(F)F)=N1)C1=NC(=CC=C1)C(F)(F)F | This approved drug compound targets the protein with sequence: MAGYLRVVRSLCRASGSRPAWAPAALTAPTSQEQPRRHYADKRIKVAKPVVEMDGDEMTRIIWQFIKEKLILPHVDIQLKYFDLGLPNRDQTDDQVTIDSALATQKYSVAVKCATITPDEARVEEFKLKKMWKSPNGTIRNILGGTVFREPIICKNIPRLVPGWTKPITIGRHAHGDQYKATDFVADRAGTFKMVFTPKD... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CCC1=C(C)NC2=C1C(=O)C(CN1CCOCC1)CC2 | This approved drug compound targets the protein with sequence: MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYST... |
Identify the protein target for the following approved drug compound. | Drug SMILES: NC(=O)NC(=O)CC1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MEQTVLVPPGPDSFNFFTRESLAAIERRIAEEKAKNPKPDKKDDDENGPKPNSDLEAGKNLPFIYGDIPPEMVSEPLEDLDPYYINKKTFIVLNKGKAIFRFSATSALYILTPFNPLRKIAIKILVHSLFSMLIMCTILTNCVFMTMSNPPDWTKNVEYTFTGIYTFESLIKIIARGFCLEDFTFLRDPWNWLDFTVITF... |
Does the following compound bind to the given protein target? | Compound SMILES: CCCc1cccc(C(C)C)c1O
Protein sequence: MMRSHYCGQLNESLEGQEITLCGWVHRRRDHGGVIFLDIRDREGMAQVVFDPDRADSFAAADRVRSEYVVKVVGKVRARPAGAVNANMASGAIEVLGYELEVLNESETPPFPLNEYSDVGEETRLRYRFIDLRRPEMAEKLRLRSRITTSIRRYLDENGFLDVETPILTRATPEGARDYLVPSRTHPGSFFALPQSPQLF... | Yes, this compound binds to the given protein target. The SMILES structure CCCc1cccc(C(C)C)c1O has documented binding affinity with the specified peptide sequence. |
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: MAAVDTFLFTSESVNEGHPDKLCDQISDAVLDACLAEDPDSKVACETCTKTNMVMVFGEITTKANVDYEKIVRDTCRGIGFVSNDVGLDADHCKVLVNIEQQSPDIAQGVHGHFTKRPEEIGAGDQGHMFGYATDETPEFMPLSHVLATKLGARLTEVRKNATCPWLRPDGKTQVTVEYHNDNGAMVPIRVHTVLISTQH... | 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: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MKILVDENMPYVEPLFGDLGDIIPVNGRTLTAEQVREADVLLVRSVTKVNAELLSGNNKLKFVGSATIGTDHVDLAYLAERNIPFSNAPGCNATAVGEFAFIAMLELAQRFNSPLKGKVVGIVGAGNTGTATAKCLQAYGIKVLLNDPIKAAEGDPRSFVSLETIMAQADIISLHVPITRTGEHKTKYLFDEARLKALKP... | 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: COc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(O)n2)cc1
Protein sequence: MKQITILGSTGSIGTSTLSVIENNPDEFQVLALVAGKNATKMAQQCRAFQPKYAVMSDEKSAGELKQLLANTSCKTEILSGSDAVNEIAALDEADQVMSAITGVAGLKPTLAAIEKGKRILLANKESLITSGRLFFDAVAKYGAKVLPIDSEHNAIYQSLPTGIQDNLGHASLEAHGITSILLTGSGGPFRYTPLDELDA... | Yes, this compound binds to the given protein target. The SMILES structure COc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(O)n2)cc1 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O | This approved drug compound targets the protein with sequence: MTPNSTGEVPSPIPKGALGLSLALASLIITANLLLALGIAWDRRLRSPPAGCFFLSLLLAGLLTGLALPTLPGLWNQSRRGYWSCLLVYLAPNFSFLSLLANLLLVHGERYMAVLRPLQPPGSIRLALLLTWAGPLLFASLPALGWNHWTPGANCSSQAIFPAPYLYLEVYGLLLPAVGAAAFLSVRVLATAHRQLQDIC... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | 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: MVNLLQIVRDHWVHVLVPMGFVIGCYLDRKSDERLTAFRNKSMLFKRELQPSEEVTWK |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N.O=C(O)C(F)(F)F
Protein sequence: MTDQNLAIVVLAAGQGTRMKSATPKLLHPLGGIPVIAHVLETARALEAAEVVAVVRHERDRLAEVIGVELPEAVIVDQDEVPGTGRAVEQAVAALPADFSGDVLVVNGDVPLLDAGTLRELIAAHRAGGSAATILSAFPAVAAGYGRIVRTSTGRLDRIVEHKDATEAERAIGEINAGIYVFGAAALRDKLAAITTDNAQ... | Yes, this compound binds to the given protein target. The SMILES structure CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N.O=C(O)C(F)(F)F has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C | This approved drug compound targets the protein with sequence: MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFY... |
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: MNILTDPLKLKTSGCADANASKCAEGDGEGSVQVQLDPNVKIGSAKVFSIYGKGGIGKSTTSSNLSVAFSKLGKRVLQIGCDPKHDSTFTLTKRLIPTVIDVLEEVNFHSEELRPEDFVFEGYNGVMCLEAGGPPAGTGCGGYVVGQTVKLLKEHHLLEDTDVVIFDVLGDVVCGGFAAPLQHSERAMIVAANDFDSIFA... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MPDTNSTINLSLSTRVTLAFFMSLVAFAIMLGNALVILAFVVDKNLRHRSSYFFLNLAISDFFVGVISIPLYIPHTLFEWDFGKEICVFWLTTDYLLCTASVYNIVLISYDRYLSVSNAVSYRTQHTGVLKIVTLMVAVWVLAFLVNGPMILVSESWKDEGSECEPGFFSEWYILAITSFLEFVIPVILVAYFNMNIYWS... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)N[C@H]2CC[C@H](C)CC2)C1=O | This approved drug compound targets the protein with sequence: MNASSRNVFDTLIRVLTESMFKHLRKWVVTRFFGHSRQRARLVSKDGRCNIEFGNVEAQSRFIFFVDIWTTVLDLKWRYKMTIFITAFLGSWFFFGLLWYAVAYIHKDLPEFHPSANHTPCVENINGLTSAFLFSLETQVTIGYGFRCVTEQCATAIFLLIFQSILGVIINSFMCGAILAKISRPKKRAKTITFSKNAVI... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CC(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN3CCN(CCO)CC3)C2=C1 | This approved drug compound targets the protein with sequence: MDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYV... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: NCC1(CC(O)=O)CCCCC1 | This approved drug compound targets the protein with sequence: MPRHHAGGEEGGAAGLWVKSGAAAAAAGGGRLGSGMKDVESGRGRVLLNSAAARGDGLLLLGTRAATLGGGGGGLRESRRGKQGARMSLLGKPLSYTSSQSCRRNVKYRRVQNYLYNVLERPRGWAFIYHAFVFLLVFGCLILSVFSTIPEHTKLASSCLLILEFVMIVVFGLEFIIRIWSAGCCCRYRGWQGRLRFARK... |
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: MKRSEKPEGYRQMRPKTFPASNYTVSSRQMLQEIRESLRNLSKPSDAAKAEHNMSKMSTEDPRQVRNPPKFGTHHKALQEIRNSLLPFANETNSSRSTSEVNPQMLQDLQAAGFDEDMVIQALQKTNNRSIEAAIEFISKMSYQDPRREQMAAAAARPINASMKPGNVQQSVNRKQSWKGSKESLVPQRHGPPLGESVAY... | 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: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MIDKESLKKCLKLYLVTDSEMLKGRDFYKCLEDAISSGITTVQLREKNASGREFLRKAMKLREITKRYGVKFIINDRVDIALICDADGVHVGQSDIDVREVRKLIGNNKILGVSARTLEEAICAKNDGADYLGVGSIFTTSTKLDAKSASFETVKEIKEKVDMPFVLIGGINLDNIDKLKCLESDGYAIISAILKAEDIS... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MIETREEVGSANFVSLERAIEDLRAGKFVIVVDEASREDEGDLIIAGEKITVEKMTFLLQHTTGVVCAALSQERLLSLDLPPMVKDNRCRFKTPFTVSVDAAHGVTTGVSAADRTKVVQLLADPKSKPEDFISPGHFFPLASSPGGVLKRAGHTESTVDLMELAGLQPCGVLAELVNEDYSMMRLPQILEFARKHNIAVI... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC1=CC(=O)C2=CC=CC=C2C1=O | This approved drug compound targets the protein with sequence: MRALTLLALLALAALCIAGQAGAKPSGAESSKGAAFVSKQEGSEVVKRPRRYLYQWLGAPVPYPDPLEPRREVCELNPDCDELADHIGFQEAYRRFYGPV |
Determine whether this molecule interacts with the specified protein sequence. | 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: MSHNDTIVAQATPPGRGGVGILRISGLKAREVAEAVLGKLPKPRYADYLPFKDADGTALDQGIALWFPGPNSFTGEDVLELQGHGGPVILDLLLKRILTLPGLRIARPGEFSERAFLNDKLDLAQAEAIADLIDASSEQAARSALNSLQGAFSARVNHLVEALTHLRIYVEAAIDFPD... | 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. |
Does the following compound bind to the given protein target? | Compound SMILES: C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCCCCCC(=O)NCC(O)CC(=O)O)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Protein sequence: MEKVTIRDFLKKKEKKEKIIMLTAYDYPSAKIISQTNLDGILVGDSLGMVVLGKENTLKVTMRDMLIHLDAVVKAKPPQLIVADMPFLSYETSIKDAVKNAGLLARHGADAVKLEGGEEMRDVVRAIVRAGIPVMGHIGLTPQRFLRIGGYRILGKREKE... | Yes, this compound binds to the given protein target. The SMILES structure C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCCCCCC(=O)NCC(O)CC(=O)O)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(C)=O)C(O)=C1C2=O | This approved drug compound targets the protein with sequence: MAKSGGCGAGAGVGGGNGALTWVTLFDQNNAAKKEESETANKNDSSKKLSVERVYQKKTQLEHILLRPDTYIGSVEPLTQFMWVYDEDVGMNCREVTFVPGLYKIFDEILVNAADNKQRDKNMTCIKVSIDPESNIISIWNNGKGIPVVEHKVEKVYVPALIFGQLLTSSNYDDDEKKVTGGRNGYGAKLCNIFSTKFTV... |
What is the biological target of this clinically approved compound? | 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: MELGGPGAPRLLPPLLLLLGTGLLRASSHVETRAHAEERLLKKLFSGYNKWSRPVANISDVVLVRFGLSIAQLIDVDEKNQMMTTNVWVKQEWHDYKLRWDPADYENVTSIRIPSELIWRPDIVLYNNADGDFAVTHLTKAHLFHDGRVQWTPPAIYKSSCSIDVTFFPFDQQNCTMKFGSWTYDKAKIDLVNMHSRVDQ... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CN(C)CCNC(=O)N1CCN(c2ccccc2F)CC1
Protein sequence: MKSKIDYTLYLVTDHQLMSTKTLEEAVEQAIAGGCTLVQLREKTASSRDFYQNAINVKTITDKYNVPLIINDRIDIALAVGADGVHVGQSDLPAAVVRKIIGNDKILGVSAGSVEKAIEAQKIGADYIGVGALFSTSTKTDAKAVSIETLMKIVREVSIPVVGIGGINAENAVQLKNTGIRGIAVVSAIISQKDIKSSAE... | Yes, this compound binds to the given protein target. The SMILES structure CN(C)CCNC(=O)N1CCN(c2ccccc2F)CC1 has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MRRLVYCKVVLATSLMWVLVDVFLLLYFSECNKCDDKKERSLLPALRAVISRNQEGPGEMGKAVLIPKDDQEKMKELFKINQFNLMASDLIALNRSLPDVRLEGCKTKVYPDELPNTSVVIVFHNEAWSTLLRTVYSVINRSPHYLLSEVILVDDASERDFLKLTLENYVKTLEVPVKIIRMEERSGLIRARLRGAAASK... | 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. |
What is the biological target of this clinically approved 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: MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVW... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: OC(=O)C1=CC=CC=C1OC(=O)C1=CC=CC=C1O | This approved drug compound targets the protein with sequence: MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRSNLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRFLLRRKFIPDPQGTNLMFAFF... |
What is the biological target of this clinically approved compound? | Drug SMILES: C[N+]1(C)CCN(CC(O)(C2CCCCC2)C2=CC=CC=C2)CC1 | This approved drug compound targets the protein with sequence: MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLW... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CCN(CC)C(=O)C(=C\C1=CC(=C(O)C(O)=C1)[N+]([O-])=O)\C#N | This approved drug compound targets the protein with sequence: MPEAPPLLLAAVLLGLVLLVVLLLLLRHWGWGLCLIGWNEFILQPIHNLLMGDTKEQRILNHVLQHAEPGNAQSVLEAIDTYCEQKEWAMNVGDKKGKIVDAVIQEHQPSVLLELGAYCGYSAVRMARLLSPGARLITIEINPDCAAITQRMVDFAGVKDKVTLVVGASQDIIPQLKKKYDVDTLDMVFLDHWKDRYLPD... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MKIIFPILSNPVFRRTVKLLLCLLWIGYSQGTTHVLRFGGIFEYVESGPMGAEELAFRFAVNTINRNRTLLPNTTLTYDTQKINLYDSFEASKKACDQLSLGVAAIFGPSHSSSANAVQSICNALGVPHIQTRWKHQVSDNKDSFYVSLYPDFSSLSRAILDLVQFFKWKTVTVVYDDSTGLIRLQELIKAPSRYNLRLK... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O | This approved drug compound targets the protein with sequence: MDEEEDGAGAEESGQPRSFMRLNDLSGAGGRPGPGSAEKDPGSADSEAEGLPYPALAPVVFFYLSQDSRPRSWCLRTVCNPWFERISMLVILLNCVTLGMFRPCEDIACDSQRCRILQAFDDFIFAFFAVEMVVKMVALGIFGKKCYLGDTWNRLDFFIVIAGMLEYSLDLQNVSFSAVRTVRVLRPLRAINRVPSMRIL... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CN(C)CC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFY... |
What is the biological target of this clinically approved compound? | Drug SMILES: BrC1=CC2=C(NC(=O)CN=C2C2=CC=CC=N2)C=C1 | This approved drug compound targets the protein with sequence: MGIRGMLRAAVILLLIRTWLAEGNYPSPIPKFHFEFSSAVPEVVLNLFNCKNCANEAVVQKILDRVLSRYDVRLRPNFGGAPVPVRISIYVTSIEQISEMNMDYTITMFFHQTWKDSRLAYYETTLNLTLDYRMHEKLWVPDCYFLNSKDAFVHDVTVENRVFQLHPDGTVRYGIRLTTTAACSLDLHKFPMDKQACNLV... |
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: MAAPILRSFSWGRWSGTLNLSVLLPLGLRKAHSGAQGLLAAQKARGLFKDFFPETGTKIELPELFDRGTASFPQTIYCGFDPTADSLHVGHLLALLGLFHLQRAGHNVIALVGGATARLGDPSGRTKEREALETERVRANARALRLGLEALAANHQQLFTDGRSWGSFTVLDNSAWYQKQHLVDFLAAVGGHFRMGTLLS... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O | This approved drug compound targets the protein with sequence: MGKSNSKLKPEVVEELTRKTYFTEKEVQQWYKGFIKDCPSGQLDAAGFQKIYKQFFPFGDPTKFATFVFNVFDENKDGRIEFSEFIQALSVTSRGTLDEKLRWAFKLYDLDNDGYITRNEMLDIVDAIYQMVGNTVELPEEENTPEKRVDRIFAMMDKNADGKLTLQEFQEGSKADPSIVQALSLYDGLV |
Identify the protein target for the following approved drug compound. | Drug SMILES: [H][C@@]12CCC[C@]1([H])C1=NN=C(CCN3CCN(CC3)C3=CC=CC(=C3)C(F)(F)F)N1C2 | This approved drug compound targets the protein with sequence: MTFRDLLSVSFEGPRPDSSAGGSSAGGGGGSAGGAAPSEGPAVGGVPGGAGGGGGVVGAGSGEDNRSSAGEPGSAGAGGDVNGTAAVGGLVVSAQGVGVGVFLAAFILMAVAGNLLVILSVACNRHLQTVTNYFIVNLAVADLLLSATVLPFSATMEVLGFWAFGRAFCDVWAAVDVLCCTASILSLCTISVDRYVGVRH... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MKLAVIGGDGIGPEVTAEALKVLRAVRQDVEVTDYDLGARRYLRNGELLSDADFASLREHDAILLGAIGAPGEVPPGVLERGLLLKMRFALDHHVNLRPSKLYPTSTSPLANPGDIDFVVVREGTEGLYCGNGGTLREGTEHEVASEVSQNTRFGVERVVRDAFQRAMGRRKHVTLVHKTNVLVNAGGLWQRTVNEVAQE... | 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: CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12
Protein sequence: VLSSKDKANIKTAFGKIGGHAADYGAEALERMFLGFPTTKTYFPHFDLSHGSAQVKAHGKKVGDALTKAADHLDDLPSALSALSDLHAHKLRVDPVNFKLLSHCLLVTVAAHHPGDFTPAVHASLDKFLANVSTVLTSKYR | Yes, this compound binds to the given protein target. The SMILES structure CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12 has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MDDERGKLAVYPGTFDPLTMGHVSLIRRGRQIFDRVIVAVAMDTPKTPLFSLDERVRMAEEVFADHEGITVEPFSGLLVDYAERRGANVILRGLRAVSDFEYEFQLALMNRKLKRHVQTVFLMTDYQWLYISSTIIKAAASLGGDIKGLVPDNVYRRLREKYGYPYPLNPGLALSTEADEDLPPSL | 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: COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(N3CCN(C)CC3)c2c(=O)n1Cc1ccnc(C)c1
Protein sequence: MSIVINNIGLLVTNDPSVGTDELGQIRNAAVVICGDRIAWVGPSAQAPAADHQSDMAGACVIPGFVDSHSHPVFAGDRSDEFDARMNGQRYEAGGILRTVRRTREAPMGFLDAVMTGILDEMARSGTTTVEAKTGYGLDVETEVKLARVASSHTDEVTFLGAHVVAPECQPDEYVRLVCGEMLHAVRPYVRWIDVFCETG... | 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. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MHCGLVLILFTGIFLIVSALKNDKCGDNIRITSANYLTSPGYPVSYYPSQKCIWVITAPGPNQRILINFNPHFDLEDRECKYDYVEVRDGVDENGQLVGKYCGKIAPSPVVSSGNQLFIKFVSDYETHGAGFSIRYEIFKTGPECSRNFTSSSGVIKSPGFPEKYPNNLDCTFMIFAPKMSEIVLEFESFELEPDTQPPA... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CNCC[S+]([O-])CP(=O)(O)O has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: C=CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21
Protein sequence: MAKIYSPSFPGTLCLCIFTLLTLMFIRVSARPATFVEDFKAAWSESHIRQMEDGKAIQLVLDQSTGCGFASKRKYLFGRVSMKIKLIPGDSAGTVTAFYMNSDTATVRDELDFEFLGNRSGQPYSVQTNIFAHGKGDREQRVNLWFDPSMDYHTYTILWSHKHIVFYVDDVPIREYKNNEAKNIAYPTSQPMGVYSTLWE... | Yes, this compound binds to the given protein target. The SMILES structure C=CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: CCC1NC(=O)C2=CC(=C(Cl)C=C2N1)S(N)(=O)=O | This approved drug compound targets the protein with sequence: MAELPTTETPGDATLCSGRFTISTLLSSDEPSPPAAYDSSHPSHLTHSSTFCMRTFGYNTIDVVPTYEHYANSTQPGEPRKVRPTLADLHSFLKQEGRHLHALAFDSRPSHEMTDGLVEGEAGTSSEKNPEEPVRFGWVKGVMIRCMLNIWGVILYLRLPWITAQAGIVLTWIIILLSVTVTSITGLSISAISTNGKVKS... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: Cc1c2ccccc2nc2c(C(=O)NCCN(C)C)cccc12
Protein sequence: MKNYDEWAHVFKLDPNKEITDEALEAVCESGTDAIIVGGTDNVTLDNTLSLFARIRRFPVTCALEVSDLEAITPGFDYYLIPSVMNSQHVSWVIGHHHKAVKEYGEIINWQELLLEGYCVLNGEARVANHANAQTDLDIEDVVAYARLAEHMYRYPFFYLEYSGKKGPIDVVKRASAVLEKTKLIYGGGIKNAADASEIA... | Yes, this compound binds to the given protein target. The SMILES structure Cc1c2ccccc2nc2c(C(=O)NCCN(C)C)cccc12 has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H]CCC(O)=O | This approved drug compound targets the protein with sequence: MATEGMILTNHDHQIRVGVLTVSDSCFRNLAEDRSGINLKDLVQDPSLLGGTISAYKIVPDEIEEIKETLIDWCDEKELNLILTTGGTGFAPRDVTPEATKEVIEREAPGMALAMLMGSLNVTPLGMLSRPVCGIRGKTLIINLPGSKKGSQECFQFILPALPHAIDLLRDAIVKVKEVHDELEDLPSPPPPLSPPPTTS... |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(O)Cc1cccc2c1Cc1c-2nc(O)c2nc(-c3ccc(C(=O)O)cc3)cn12
Protein sequence: MAPFPDEVDVFTAPHWRMKQLVGRYCDKLSKTNFSNNNDFRALLQSLYATFKEFKMHEQIENEYIIGLLQQRSQTIYNVHSDNKLSEMLSLFEKGLKNVKNEYEQLNYAKQLKERLEAFTRDFLPHMKEEEEVFQPMLMEYFTYEELKDIKKKVIAQHCSQKDTAELLRGLSLWNQAEERQKVLKYSVDEKADTEAEVSE... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)Cc1cccc2c1Cc1c-2nc(O)c2nc(-c3ccc(C(=O)O)cc3)cn12 has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: OC(=O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MGMSKSHSFFGYPLSIFFIVVNEFCERFSYYGMRAILILYFTNFISWDDNLSTAIYHTFVALCYLTPILGALIADSWLGKFKTIVSLSIVYTIGQAVTSVSSINDLTDHNHDGTPDSLPVHVVLSLIGLALIALGTGGIKPCVSAFGGDQFEEGQEKQRNRFFSIFYLAINAGSLLSTIITPMLRVQQCGIHSKQACYPL... |
What is the biological target of this clinically approved compound? | Drug SMILES: CC(C)C(=O)OC(C)OC(=O)NCC1(CC(O)=O)CCCCC1 | This approved drug compound targets the protein with sequence: MAAGCLLALTLTLFQSLLIGPSSEEPFPSAVTIKSWVDKMQEDLVTLAKTASGVNQLVDIYEKYQDLYTVEPNNARQLVEIAARDIEKLLSNRSKALVRLALEAEKVQAAHQWREDFASNEVVYYNAKDDLDPEKNDSEPGSQRIKPVFIEDANFGRQISYQHAAVHIPTDIYEGSTIVLNELNWTSALDEVFKKNREED... |
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: MLAARTGAAGSQISEENTKLRRQSGFSVAGKDKSPKKASENAKDSSLSPSGESQLRARQLALLREVEMNWYLKLCDLSSEHTTVCTTGMPHRNLGKSGLRVSCLGLGTWVTFGGQISDEVAERLMTIAYESGVNLFDTAEVYAAGKAEVILGSIIKKKGWRRSSLVITTKLYWGGKAETERGLSRKHIIEGLKGSLQRLQ... |
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: MQRTLVLLKPDCVQRRLIGDVLSRFEAKGLHIVAMKLLQVTPELSKQHYAEHVEKPFYPSLEEFITSAPVVAIALEGLEVIRVVRDMLGATNGLQAAPGTLRGDYSSSRQMNLVHASDSEESAQRELDLYFNADEFCDYSLVLTPFMRADDE | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MKTKFLFITGGVVSSLGKGLAAASIGALMEARGLRVSMQKMDPYINVDPGTMSPFQHGEVFVTDDGAETDLDLGHYERYTSARLSQKSNFTTGQVYDSVIRKERRGDYLGGTVQVIPHITNEIKAKILANSKDVDVAIVEVGGTVGDIESLPFLEAIRQFRVERGRENVLYLHLTLVPYIPTAGELKTKPTQHSVKELRE... | 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: 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: MSHCSSRALTLLSSVFGACGLLLVGIAVSTDYWLYMEEGTVLPQNQTTEVKMALHAGLWRVCFFAGREKGRCVASEYFLEPEINLVTENTENILKTVRTATPFPMVSLFLVFTAFVISNIGHIRPQRTILAFVSGIFFILSGLSLVVGLVLYISSINDEVMNRPSSSEQYFHYRYGWSFAFAASSFLLKEGAGVMSVYLF... |
What is the biological target of this clinically approved compound? | Drug SMILES: ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl | This approved drug compound targets the protein with sequence: MLLWVQQALLALLLPTLLAQGEARRSRNTTRPALLRLSDYLLTNYRKGVRPVRDWRKPTTVSIDVIVYAILNVDEKNQVLTTYIWYRQYWTDEFLQWNPEDFDNITKLSIPTDSIWVPDILINEFVDVGKSPNIPYVYIRHQGEVQNYKPLQVVTACSLDIYNFPFDVQNCSLTFTSWLHTIQDINISLWRLPEKVKSDR... |
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: MGEAVYPVPAEWAQNALVDEARYQDMYRQSVDDPEGFWAEHGKRIDWIRPFTKVKNTSFHEADFGIRWFEDGTLNLAANCLDRHLAERGDEIAILWEPDSPDEAHREITYRQLHADVCRFANLLKAKGVQKGERVTIYLPMVPEAAVAMLACARIGAIHSIVFAGFSPDALAGRITDCDSRIVLTSDEGLRGGRKVPLKA... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: FC(F)(F)C1=CC(=CC(=C1)C1=NN(\C=C/C(=O)NNC2=NC=CN=C2)C=N1)C(F)(F)F | This approved drug compound targets the protein with sequence: MPAIMTMLADHAARQLLDFSQKLDINLLDNVVNCLYHGEGAQQRMAQEVLTHLKEHPDAWTRVDTILEFSQNMNTKYYGLQILENVIKTRWKILPRNQCEGIKKYVVGLIIKTSSDPTCVEKEKVYIGKLNMILVQILKQEWPKHWPTFISDIVGASRTSESLCQNNMVILKLLSEEVFDFSSGQITQVKSKHLKDSMCN... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: VSFNYTEFKDDGSLILQGDAKIWTDGRLAMPTDPLVNNPKTTRSAGRALYATPVPIWDSATGNVASFVTSFNFLFVIRELKYTPTDGLVFFLAPVGTEIPSGSTGGFLGIFDGSNGFNQFVAVEFDSYHNIWDPKSLRSSHVGIDVNSIMSLKAVNWNRVSGSLEKATIIYDSQTNILSVVMTSQNGQITTIYGTIDLKT... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CNCC[S+]([O-])CP(=O)(O)O has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MSMSSSTSTIVAIASAAGIGGVGIVRLSGPQSVQIAAHLGIARMQPRHAHYARFRDGHGAVIDDGIALWFNAPHSFTGEDVVELQGHGSPVLLRQLVARCIELGARQARAGEFSERAFLNGKLDLAQAEAIADLIAAGDLRAARAARRALDGVFSQRVDALAETLTRLRIHVEAAIDFADEPLDTLGGNQVRDGLGQARN... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: O=C(NC1=NN2C(C=CC=C2C2=CC=C(CN3CCS(=O)(=O)CC3)C=C2)=N1)C1CC1 | This approved drug compound targets the protein with sequence: MQYLNIKEDCNAMAFCAKMRSSKKTEVNLEAPEPGVEVIFYLSDREPLRLGSGEYTAEELCIRAAQACRISPLCHNLFALYDENTKLWYAPNRTITVDDKMSLRLHYRMRFYFTNWHGTNDNEQSVWRHSPKKQKNGYEKKKIPDATPLLDASSLEYLFAQGQYDLVKCLAPIRDPKTEQDGHDIENECLGMAVLAISHY... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CC(C)NCC(O)COC1=CC=CC=C1OCC=C | This approved drug compound targets the protein with sequence: MAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIVAIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRVGADAEAQRCHSNPRCCAFAS... |
Does the following compound bind to the given protein target? | Compound SMILES: CNCCc1c[nH]c2ccc(OC)cc12
Protein sequence: MPLELTQSRVQKIWVPVDHRPSLPRSCGPKLTNSPTVIVMVGLPARGKTYISKKLTRYLNWIGVPTKVFNVGEYRREAVKQYSSYNFFRPDNEEAMKVRKQCALAALRDVKSYLAKEGGQIAVFDATNTTRERRHMILHFAKENDFKAFFIESVCDDPTVVASNIMEVKISSPDYKDCNSAEAMDDFMKRISCYEASYQP... | Yes, this compound binds to the given protein target. The SMILES structure CNCCc1c[nH]c2ccc(OC)cc12 has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MPLELTQSRVQKIWVPVDHRPSLPRSCGPKLTNSPTVIVMVGLPARGKTYISKKLTRYLNWIGVPTKVFNVGEYRREAVKQYSSYNFFRPDNEEAMKVRKQCALAALRDVKSYLAKEGGQIAVFDATNTTRERRHMILHFAKENDFKAFFIESVCDDPTVVASNIMEVKISSPDYKDCNSAEAMDDFMKRISCYEASYQP... | 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: CCCCOC1=CC=C(OCCCN2CCOCC2)C=C1 | This approved drug compound targets the protein with sequence: MLASPEPKGLVPFTKESFELIKQHIAKTHNEDHEEEDLKPTPDLEVGKKLPFIYGNLSQGMVSEPLEDVDPYYYKKKNTFIVLNKNRTIFRFNAASILCTLSPFNCIRRTTIKVLVHPFFQLFILISVLIDCVFMSLTNLPKWRPVLENTLLGIYTFEILVKLFARGVWAGSFSFLGDPWNWLDFSVTVFEVIIRYSPLD... |
What is the biological target of this clinically approved compound? | Drug SMILES: ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1 | This approved drug compound targets the protein with sequence: MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVI... |
Identify the protein target for the following approved drug compound. | Drug SMILES: [Ca++].CC(=O)CCC([O-])=O.CC(=O)CCC([O-])=O | This approved drug compound targets the protein with sequence: MADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK |
Does the following compound bind to the given protein target? | Compound SMILES: CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N.O=C(O)C(F)(F)F
Protein sequence: MSCLLIAASGTGGHLFPALAVAEALPESWKVSWLGVSDRLESSLIPKKYQLSTIGVEGVQSRGIKRIVQIFKLLAATGSVICLIRRNRIQIVLTTGGYIAVPAVLAAKLTGKKVILHESNAIPGKATRLLGRLCDKVALGWPPAKKKLPGCKVTVTGTPVRKSFLMKNKLPSWAPSGPGPLIVVIGGSQGAVGLNDMVRA... | Yes, this compound binds to the given protein target. The SMILES structure CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N.O=C(O)C(F)(F)F has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O | This approved drug compound targets the protein with sequence: MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRD... |
Identify the protein target for the following approved drug compound. | Drug SMILES: NC(=O)N1C2=CC=CC=C2CC(=O)C2=C1C=CC=C2 | This approved drug compound targets the protein with sequence: MAQALLVPPGPESFRLFTRESLAAIEKRAAEEKAKKPKKEQDNDDENKPKPNSDLEAGKNLPFIYGDIPPEMVSEPLEDLDPYYINKKTFIVMNKGKAIFRFSATSALYILTPLNPVRKIAIKILVHSLFSMLIMCTILTNCVFMTLSNPPDWTKNVEYTFTGIYTFESLIKILARGFCLEDFTFLRDPWNWLDFSVIVM... |
What is the biological target of this clinically approved compound? | Drug SMILES: CNC1=NC2=C(C=C(Cl)C=C2)C(C2=CC=CC=C2)=[N+]([O-])C1 | 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: CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC | This approved drug compound targets the protein with sequence: MANGGGGGGGSSGGGGGGGGSSLRMSSNIHANHLSLDASSSSSSSSSSSSSSSSSSSSSSVHEPKMDALIIPVTMEVPCDSRGQRMWWAFLASSMVTFFGGLFIILLWRTLKYLWTVCCHCGGKTKEAQKINNGSSQADGTLKPVDEKEEAVAAEVGWMTSVKDWAGVMISAQTLTGRVLVVLVFALSIGALVIYFIDSS... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC(C)(N)CC1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MSKSKCSVGLMSSVVAPAKEPNAVGPKEVELILVKEQNGVQLTSSTLTNPRQSPVEAQDRETWGKKIDFLLSVIGFAVDLANVWRFPYLCYKNGGGAFLVPYLLFMVIAGMPLFYMELALGQFNREGAAGVWKICPILKGVGFTVILISLYVGFFYNVIIAWALHYLFSSFTTELPWIHCNNSWNSPNCSDAHPGDSSGD... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H][C@]12C[C@]([H])(N(C(=O)[C@@]3([H])CC4=C(CN3C(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CS3)NC(=O)CNC(=O)[C@]3([H])C[C@@H](O)CN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)C=CC=C4)[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O | This approved drug compound targets the protein with sequence: MFSPWKISMFLSVREDSVPTTASFSADMLNVTLQGPTLNGTFAQSKCPQVEWLGWLNTIQPPFLWVLFVLATLENIFVLSVFCLHKSSCTVAEIYLGNLAAADLILACGLPFWAITISNNFDWLFGETLCRVVNAIISMNLYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWGCTLLLSSPMLVFRTMKE... |
Identify the protein target for the following approved drug compound. | Drug SMILES: C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O | This approved drug compound targets the protein with sequence: MSLWQPLVLVLLVLGCCFAAPRQRQSTLVLFPGDLRTNLTDRQLAEEYLYRYGYTRVAEMRGESKSLGPALLLLQKQLSLPETGELDSATLKAMRTPRCGVPDLGRFQTFEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQG... |
What is the biological target of this clinically approved compound? | Drug SMILES: [Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O | This approved drug compound targets the protein with sequence: MGGSGSRLSKELLAEYQDLTFLTKQEILLAHRRFCELLPQEQRSVESSLRAQVPFEQILSLPELKANPFKERICRVFSTSPAKDSLSFEDFLDLLSVFSDTATPDIKSHYAFRIFDFDDDGTLNREDLSRLVNCLTGEGEDTRLSASEMKQLIDNILEESDIDRDGTINLSEFQHVISRSPDFASSFKIVL |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](C)N2C1=O | This approved drug compound targets the protein with sequence: MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCS... |
Does the following compound bind to the given protein target? | Compound SMILES: COc1ccc(C(=O)CC(=O)C[C@@H]2OC[C@H](C[C@@H]3O[C@H]3[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]2O)cn1
Protein sequence: MAPSQLALFSVSDKTGLVEFARSLASLGLSLVASGGTAKAIRDAGLAVRDVSELTGFPEMLGGRVKTLHPAVHAGILARNIPEDAADMARLDFNLVRVVVCNLYPFVKTVASPDVTVEAAVEQIDIGGVTLLRAAAKNHARVTVVCEPEDYAGVAAEMHGSDSKDTSLETRRHLALKAFTHTAQYDEAISDYFRK... | Yes, this compound binds to the given protein target. The SMILES structure COc1ccc(C(=O)CC(=O)C[C@@H]2OC[C@H](C[C@@H]3O[C@H]3[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]2O)cn1 has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCCC(CCC)C(O)=O | This approved drug compound targets the protein with sequence: MNSPNESDGMSGREPSLEILPRTSLHSIPVTVEVKPVLPRAMPSSMGGGGGGSPSPVELRGALVGSVDPTLREQQLQQELLALKQQQQLQKQLLFAEFQKQHDHLTRQHEVQLQKHLKQQQEMLAAKQQQEMLAAKRQQELEQQRQREQQRQEELEKQRLEQQLLILRNKEKSKESAIASTEVKLRLQEFLLSKSKEPTP... |
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: MANQLKVGIIGAGAMGLLYAANFANISELTLFTRRKEQSDLLNQKGLSLKDNSELKNIHIQATVITDAEKLSEQELLIIAVKQYSLKTILPLLRSIPERVPLLFIQNGAAHLDSMPLLGNKRTILLGISEHGAGREDDTTVIWRGHGRTKYSIYQGELNEAVIKILDSNPDFPVEKHASYLDIINEKLFINAVINPLTAV... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: [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: MAAAAGAPPPGPPQPPPPPPPEESSDSEPEAEPGSPQKLIRKVSTSGQIRQKTIIKEGMLTKQNNSFQRSKRRYFKLRGRTLYYAKTAKSIIFDEVDLTDASVAESSTKNVNNSFTVITPCRKLILCADNRKEMEDWIAALKTVQNREHFEPTQYSMDHFSGMHNWYACSHARPTYCNVCREALSGVTSHGLSCEVCKFK... |
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: MTPAELKRLYHIIKVQLEYGLDELLPDHQLTKAPLLMRKSLFWIKNQHPEKPLGERLRLALQELGPVWIKFGQMMSTRRDLFPPHIADPLALLQDQVAPFDGELAKQQMEKALGGPLENWFTEFDIKPLASASIAQVHTARLKDTNQEVVLKVIRPDIRPVIDSDLKLMHRMARIVAGAMPEARRLKPVEVVREYEKTLL... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC | This approved drug compound targets the protein with sequence: MGSSATEIEELENTTFKYLTGEQTEKMWQRLKGILRCLVKQLERGDVNVVDLKKNIEYAASVLEAVYIDETRRLLDTEDELSDIQTDSVPSEVRDWLASTFTRKMGMTKKKPEEKPKFRSIVHAVQAGIFVERMYRKTYHMVGLAYPAAVIVTLKDVDKWSFDVFALNEASGEHSLKFMIYELFTRYDLINRFKIPVSCL... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CC(=O)C(O)=O | This approved drug compound targets the protein with sequence: MPPMPSAPPVHPPPDGGWGWIVVGAAFISIGFSYAFPKAVTVFFKEIQQIFHTTYSEIAWISSIMLAVMYAGGPVSSVLVNKYGSRPVVIAGGLLCCLGMVLASFSSSVVQLYLTMGFITGLGLAFNLQPALTIIGKYFYRKRPMANGLAMAGSPVFLSSLAPFNQYLFNTFGWKGSFLILGSLLLNACVAGSLMRPLGP... |
Does the following compound bind to the given protein target? | Compound SMILES: COc1cccc2[nH]c(C(=O)NCCCCCCC(=O)NO)cc12
Protein sequence: MTTGKTAPRRLSIFGSTGSIGRNTLNVIEHLGGRENFEISVLTGNGNVELLARQARSSGARLAVTASDRHYESLKRELSGSGIAVASGKSGLMEAADRDADWVMAAIVGTAGLAPTLAAARRGADIALANKECLVSAGDLFIKAIREGGGRLLPVDSEHNAIFQVLEENQRHAIERVILTASGGPFRNASLEEMKHVTAE... | Yes, this compound binds to the given protein target. The SMILES structure COc1cccc2[nH]c(C(=O)NCCCCCCC(=O)NO)cc12 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C | This approved drug compound targets the protein with sequence: MRGAGGPRGPRGPAKMLLLLALACASPFPEEAPGPGGAGGPGGGLGGARPLNVALVFSGPAYAAEAARLGPAVAAAVRSPGLDVRPVALVLNGSDPRSLVLQLCDLLSGLRVHGVVFEDDSRAPAVAPILDFLSAQTSLPIVAVHGGAALVLTPKEKGSTFLQLGSSTEQQLQVIFEVLEEYDWTSFVAVTTRAPGHRAF... |
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: MASTESSLLRSLGLSPGPGSSEVELDCWFDEDFKFILLPVSYAVVFVLGLGLNAPTLWLFIFRLRPWDATATYMFHLALSDTLYVLSLPTLIYYYAAHNHWPFGTEICKFVRFLFYWNLYCSVLFLTCISVHRYLGICHPLRALRWGRPRLAGLLCLAVWLVVAGCLVPNLFFVTTSNKGTTVLCHDTTRPEEFDHYVHF... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MGRFDDAGAQDAEPDDRDVSPALTVGEGDIDASLRPRSLGEFIGQPRVREQLQLVLEGAKNRGGTPDHILLSGPPGLGKTSLAMIIAAELSSSLRVTSGPALERAGDLAAMLSNLVEGDVLFIDEIHRIARPAEEMLYLAMEDFRVDVVVGKGPGATSIPLEVAPFTLVGATTRSGALTGPLRDRFGFTAHMDFYEPAEL... | 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: COc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(O)n2)cc1
Protein sequence: MTQSVCILGVTGSIGRSTLKILGQHPDKYSVFAVSAHSRISELVEICKQFRPKVVVVPEQKIAELKTLFAQQNISDIDVLAGQEGLVDIASHTDVDIVMAAIVGAAGLLPTLAAVKAGKRVLLANKEALVMSGEIMMQAARDHQALLLPVDSEHNAIFQSLPHNYLQADRTGQPQLGVSKILLTASGGPFLNHSLEQLTH... | Yes, this compound binds to the given protein target. The SMILES structure COc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(O)n2)cc1 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O | This approved drug compound targets the protein with sequence: MKYTSYILAFQLCIVLGSLGCYCQDPYVKEAENLKKYFNAGHSDVADNGTLFLGILKNWKEESDRKIMQSQIVSFYFKLFKNFKDDQSIQKSVETIKEDMNVKFFNSNKKKRDDFEKLTNYSVTDLNVQRKAIHELIQVMAELSPAAKTGKRKRSQMLFRGRRASQ |
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: MTQLADLRRTYVLGALSESDVAPDPMSQFKRWFDEAVTAKLPEPNAMSLATVDADGQPSARIVLLKGIDDRGFTFFTNYESRKGLDLAANPRAALLFHWVQLERQVRVEGRVEKVSDDESDAYFATRPLGSRVGAWASAQSREVPGRDVLEQREQEYRSKFGENPPRPPYWGGYRLVPTALEFWQGRPSRLHDRIAYRLQ... | Yes, this compound binds to the given protein target. The SMILES structure CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NC(CC(C)C)C(=O)O)C(C)(C)CCC1 has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MTSQIQDLLATDQDLLLMQEGTMMRKVRTKSWKKLRYFRLQNDGMTVWHGSQPESMPKPTFSISDVERIRKGQDSELLRYLVEEFPLEQGFTVVFHGRRPNLDLVANSVEEAQIWMRGLQLLVDLVASMDHQEQMDQMLNEWFQQADRNQDGRMSFREAQRLLLLMNVEMDEEYAFSLFQEADVTQSDDLGSEEFVQFYK... | 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. |
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