instruction stringclasses 8
values | input stringlengths 16 761 | output stringlengths 112 280 |
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Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CCN(C)Cc1cnccc1F
Protein sequence: MSTLKNTFFITPPDTPTQAGPENIFYDFNDGARVLLPEGKWHVRLLDADSENILFCCDVDKGWVTSSKKYFVRFRIQVFRQGEETPLLDETLKLKDRPVLISFPTGTLGDLLGWFPYAERFQSLHKCRLECTMSQDIIDLLAPQYPQIQFSTPDKPRTVAPYATYRVGLYFGGDTNNQPVDFRKVGFHRSAGYILGVDPR... | Yes, this compound binds to the given protein target. The SMILES structure CCN(C)Cc1cnccc1F has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MKTFLILAMAVALAKAQSTDEITNLVQFGKLVMCLGNIGYTEGLEYDGYGCFCGKGGKGTPVDATDRCCEVHDNCYGQAVEEGKCWSVETYGTTYWYDQSTSGSCSIRCWEEGDYNSLVPRKACKAAICECDRKAAQCFADNRPTFNRKYLNYAKDTC | 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: 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: MVVGRGLLGRRSLAALGAACARRGLGPALLGVFCHTDLRKNLTVDEGTMKVEVLPALTDNYMYLVIDDETKEAAIVDPVQPQKVVDAARKHGVKLTTVLTTHHHWDHAGGNEKLVKLESGLKVYGGDDRIGALTHKITHLSTLQVGSLNVKCLATPCHTSGHICYFVSKPGGSEPPAVFTGDTLFVAGCGKFYEGTADEM... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLW... |
Does the following compound bind to the given protein target? | Compound SMILES: CCCc1cccc(C(C)C)c1O
Protein sequence: MSAVAGTADSLQNRFRSHFCGRLHTEFENKTIAVAGWVHRIRDHGGLIFIDLRDHTGICQLIIQPEKEELFRKAEALHTESVICVSGVVVRRSEETVNPRLASGEIEVVVEDIRVESNASPLPFPVADELQTSEELRLKYRFLDLRREKIHENIHFRSRLISEVRRYLEERSFMEIQTPILTSSSPEGARDFLVPSRLHP... | 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. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2 | This approved drug compound targets the protein with sequence: MMDVNSSGRPDLYGHLRSFLLPEVGRGLPDLSPDGGADPVAGSWAPHLLSEVTASPAPTWDAPPDNASGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMA... |
Does the following compound bind to the given protein target? | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MIDRYKHQQLRIGSVSPQQISAWATKILPNGEIVGEVTKPYTFHYKTNKPEKDGLFCERIFGPIKSGICACGNYRVIGDEKEDPKFCEQCGVEFVDSRIRRYQMGYIKLACPVTHVWYLKRLPSYIANLLDKPLKELEGLVYCDFSFARPITKKPTFLRLRGLFEYEIQSWKYSIPLFFTTQGFDTFRNREISTGAGAIR... | 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: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MERGLPLLCATLALALALAGAFRSDKCGGTIKIENPGYLTSPGYPHSYHPSEKCEWLIQAPEPYQRIMINFNPHFDLEDRDCKYDYVEVIDGENEGGRLWGKFCGKIAPSPVVSSGPFLFIKFVSDYETHGAGFSIRYEIFKRGPECSQNYTAPTGVIKSPGFPEKYPNSLECTYIIFAPKMSEIILEFESFDLEQDSNP... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CNCC[S+]([O-])CP(=O)(O)O has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MVQKTSMSRGPYPPSQEIPMEVFDPSPQGKYSKRKGRFKRSDGSTSSDTTSNSFVRQGSAESYTSRPSDSDVSLEEDREALRKEAERQALAQLEKAKTKPVAFAVRTNVGYNPSPGDEVPVQGVAITFEPKDFLHIKEKYNNDWWIGRLVKEGCEVGFIPSPVKLDSLRLLQEQKLRQNRLGSSKSGDNSSSSLGDVVTG... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CCc1nn(C)c(N)c1C(=O)c1ccccc1F
Protein sequence: MADAAVIEKLEAGFKKLEAATDCKSLLKKYLTKEVFDKLKDKRTSLGATLLDVIQSGVENLDSGVGIYAPDAEAYTLFAPLFDPIIEDYHVGFKQTDKHPNKDFGDVNSFVNVDPEGKFVISTRVRCGRSLQGYPFNPCLTESQYKEMEAKVSSTLSSLEGELKGTYYPLTGMSKEVQQKLIDDHFLFKEGDRFLQAANA... | Yes, this compound binds to the given protein target. The SMILES structure CCc1nn(C)c(N)c1C(=O)c1ccccc1F has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: ONC(=O)CCCCCCC(=O)NC1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MGTALVYHEDMTATRLLWDDPECEIERPERLTAALDRLRQRGLEQRCLRLSAREASEEELGLVHSPEYVSLVRETQVLGKEELQALSGQFDAIYFHPSTFHCARLAAGAGLQLVDAVLTGAVQNGLALVRPPGHHGQRAAANGFCVFNNVAIAAAHAKQKHGLHRILVVDWDVHHGQGIQYLFEDDPSVLYFSWHRYEHG... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [Fe++].[H]\C(=C(\[H])C([O-])=O)C([O-])=O | This approved drug compound targets the protein with sequence: MALLKANKDLISAGLKEFSVLLNQQVFNDPLVSEEDMVTVVEDWMNFYINYYRQQVTGEPQERDKALQELRQELNTLANPFLAKYRDFLKSHELPSHPPPSS |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CCCCCCCCC1=CC=C(CCC(N)(CO)CO)C=C1 | This approved drug compound targets the protein with sequence: MATALPPRLQPVRGNETLREHYQYVGKLAGRLKEASEGSTLTTVLFLVICSFIVLENLMVLIAIWKNNKFHNRMYFFIGNLALCDLLAGIAYKVNILMSGKKTFSLSPTVWFLREGSMFVALGASTCSLLAIAIERHLTMIKMRPYDANKRHRVFLLIGMCWLIAFTLGALPILGWNCLHNLPDCSTILPLYSKKYIAFC... |
What is the biological target of this clinically approved compound? | Drug SMILES: NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O | This approved drug compound targets the protein with sequence: MAHEHGHEHGHHKMELPDYRQWKIEGTPLETIQKKLAAKGLRDPWGRNEAWRYMGGFAKSVSFSDVFFKGFKWGFAAFVVAVGAEYYLESLNKDKKHH |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CS(=O)(=O)c1ccc(C2=C(c3cc4ccccc4s3)C(=O)CC2)cc1
Protein sequence: MKLLEIYDKQLVEQEEGGFRAILTRYLNKWIFTVDHKLIGTMYITFSIFAGIIGTLLSLVIPMELSTGNMLEGDSQQYNVIVTAHGLIMIFFVVMYCSMPAMLGGFANWFLPIMVGAPDVAFPRLNNISLWLIVVSFGLLLTSSCVGIGAGTGWTVYPPLSMMEYHPGHAVDVGILSLHIAGASSLVGAINFLTTVFNMK... | Yes, this compound binds to the given protein target. The SMILES structure CS(=O)(=O)c1ccc(C2=C(c3cc4ccccc4s3)C(=O)CC2)cc1 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 | This approved drug compound targets the protein with sequence: MSNICQRLWEYLEPYLPCLSTEADKSTVIENPGALCSPQSQRHGHYFVALFDYQARTAEDLSFRAGDKLQVLDTLHEGWWFARHLEKRRDGSSQQLQGYIPSNYVAEDRSLQAEPWFFGAIGRSDAEKQLLYSENKTGSFLIRESESQKGEFSLSVLDGAVVKHYRIKRLDEGGFFLTRRRIFSTLNEFVSHYTKTSDGL... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MQTSPLPRRTKIVATIGPATQSKEVLRQLIQAGATTFRLNFSHGDHAYHQQSIRLIRQIAFELNQPVGILQDLQGPKIRVGKFLNDAGSVQLKNGDPYTLTSRPVECTETISSISYEYLADEVPSGARILLDDGKLEMLVEEVDTVARDLHCRVIVGGTLSSNKGVNFPGVCLSVKAMTDKDKEDLMFGLDQGVDWVALS... | 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=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MALSWVLTVLSLLPLLEAQIPLCANLVPVPITNATLDRITGKWFYIASAFRNEEYNKSVQEIQATFFYFTPNKTEDTIFLREYQTRQNQCFYNSSYLNVQRENGTVSRYEGGREHVAHLLFLRDTKTLMFGSYLDDEKNWGLSFYADKPETTKEQLGEFYEALDCLCIPRSDVMYTDWKKDKCEPLEKQHEKERKQEEGE... |
What is the biological target of this clinically approved compound? | Drug SMILES: CC1=NC=C(C=C1)C1=C(C=C(Cl)C=N1)C1=CC=C(C=C1)S(C)(=O)=O | This approved drug compound targets the protein with sequence: MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFLTRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADYGYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGSNMMFAFFAQHFTHQFFKTDH... |
Does the following compound bind to the given protein target? | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MARCERLRGAALRDVLGRAQGVLFDCDGVLWNGERAVPGAPELLERLARAGKAALFVSNNSRRARPELALRFARLGFGGLRAEQLFSSALCAARLLRQRLPGPPDAPGAVFVLGGEGLRAELRAAGLRLAGDPSAGDGAAPRVRAVLVGYDEHFSFAKLREACAHLRDPECLLVATDRDPWHPLSDGSRTPGTGSLAAAV... | 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: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MPRLEESEIKKYWQIFQSLKPQNNKLTGDQLSSILKNSQLPQQQLSAIWELSDIDNDGKLDFEEFCIIMRLIFDVINGKLPNVPQELPSWLIPASKSAIIQANKAVNQGNNNFGDIDDDEDDKLSNDFDWYISPTDKSIYEKIYDSKCDSFGRIKYSSLNELYNGLTNVPSSEISSAWNLINPKSFETIDKDQTLVFLHI... | 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. |
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: MNPNQKIITIGSICMVVGIISLILQIGNIISIWVSHSIQTGNQNHPETCNQSIITYENNTWVNQTYVNISNTNVVAGQDATSVILTGNSSLCPISGWAIYSKDNGIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPYRTLMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGISGPDN... | 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: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MENNKYFGTDGIRGKVGKNPITPEFFFKLGFVIGNLLYKENSFNKVLIGNDTRQSGFILESTLAYGLSCSGLSSLLIGSIPTPAISYLTSYLKADAGISVSASHNLCSDNGIKIFSVNGKKLSDKLENDIEIKLSKLTILKKNIYCKNKYQKVNLINQYIKFCRSTVSNNINLKGLNIVVDCANGSTYQIAPVLLKNLGA... | 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: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MNIIFFGPNGSGKGTQGSILKDKYKIAHIESGAIFRDNIKGGTDLGMKAKAYIDKGDLVPDEITIPMILDRLKQDDCAKGWLLDGFPRNKVQAEKLDASLKKEKMKLDIIIEMLLDRQIAKDRIMGRRLCENDNNHPNNIFIDAIKPNGDKCRVCGGALSSRADDQDETAIDKRHSIYYNDVDGTLAAAYYFRDLAKKDD... | 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: CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC | This approved drug compound targets the protein with sequence: MVRFGDELGGRYGGPGGGERARGGGAGGAGGPGPGGLQPGQRVLYKQSIAQRARTMALYNPIPVKQNCFTVNRSLFVFSEDNVVRKYAKRITEWPPFEYMILATIIANCIVLALEQHLPDGDKTPMSERLDDTEPYFIGIFCFEAGIKIIALGFVFHKGSYLRNGWNVMDFVVVLTGILATAGTDFDLRTLRAVRVLRPL... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CNC1(CCCCC1=O)C1=CC=CC=C1Cl | This approved drug compound targets the protein with sequence: MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECV... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2 | This approved drug compound targets the protein with sequence: MEDRLHMDNGLVPQKIVSVHLQDSTLKEVKDQVSNKQAQILEPKPEPSLEIKPEQDGMEHVGRDDPKALGEEPKQRRGSASGSEPAGDSDRGGGPVEHYHLHLSSCHECLELENSTIESVKFASAENIPDLPYDYSSSLESVADETSPEREGRRVNLTGKAPNILLYVGSDSQEALGRFHEVRSVLADCVDIDSYILYHL... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: C=CCN1CCC(Nc2nc3cccnc3n2Cc2ccccc2)CC1
Protein sequence: MAETLAHRFTEFLLESNALKFGDFTLKSGRKSPYFINAGAFDDGKKIAALGAFYAEKISQAIVHNTIPRNIDTVFGPAYKGIPLAVSTAIALNAGHNMTVGYTFDRKEKKDHGDGGWMVGTPLTDGMKVLLVDDVMTAGTAVREVIPKLKAEANVEVVGLVLSVDRMEKTKDSDLSAVKAVEAEFGFPVLSIANVREIFD... | Yes, this compound binds to the given protein target. The SMILES structure C=CCN1CCC(Nc2nc3cccnc3n2Cc2ccccc2)CC1 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O | This approved drug compound targets the protein with sequence: MDLEGDRNGGAKKKNFFKLNNKSEKDKKEKKPTVSVFSMFRYSNWLDKLYMVVGTLAAIIHGAGLPLMMLVFGEMTDIFANAGNLEDLMSNITNRSDINDTGFFMNLEEDMTRYAYYYSGIGAGVLVAAYIQVSFWCLAAGRQIHKIRKQFFHAIMRQEIGWFDVHDVGELNTRLTDDVSKINEGIGDKIGMFFQSMATF... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CC(=O)OC1=CC=CC=C1C(O)=O | This approved drug compound targets the protein with sequence: METLCLRASFWLALVGCVISDNPERYSTNLSNHVDDFTTFRGTELSFLVTTHQPTNLVLPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPL... |
Does the following compound bind to the given protein target? | Compound SMILES: CCCc1cccc(C(C)C)c1O
Protein sequence: MIDFLGGWKRTSYCGELRGGHIGQEVTLMGWVSKRRDHGGLIFVDLRDRDGISQIVFDPERCAEAHAKAESVRNEYVLAIKGTVAARPEGTVNPKMKTGEIEVLVTECKLLNPSKALPFTLDGFVDVNENIRLKYRYLDLRTGTLQQNLILRSKVAQLTRSYLSDNGFIELETPFLTKSTPEGARDFLVPSRINKGEFYA... | 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. |
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: MTKYVFVTGGVVSSLGKGIAAASLAAILESRGLKVTLLKLDPYINVDPGTMSPFQHGEVFVTEDGAETDLDLGHYERFISTKMRKANNFTTGQIYESVIRKERRGDYLGKTVQVIPHITNEIQAFIERGAASATCGEPDVAIVEIGGTVGDIESLPFLEAARQMSLRLGRNSACFVHLTLVPFIATAGELKTKPTQHSVQ... | 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: O=C(O)Cc1cccc2c1Cc1c-2nc(O)c2nc(-c3ccc(C(=O)O)cc3)cn12
Protein sequence: MAPQRRAATKAPEGNGAAERRNRSSTKKDRAPREVQRLWQRPWLRTAGLGAGFVLTALLLWSSLGADDGVAEVLARRGEVVAGRFIEVPCSEDYDSHRRFEGCTPRKCGRGVTDVVITREEAERIRSVAEKGLSLGGSDGGASILDLHSGALSVGKHFVNLYRYFGDKIQNIFSEEDFRLYREVRQKVQLTIAEAFGISA... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)Cc1cccc2c1Cc1c-2nc(O)c2nc(-c3ccc(C(=O)O)cc3)cn12 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1 | This approved drug compound targets the protein with sequence: MVQRDMSKSPPTAAAAVAQEIQMELLENVAPAGALGAAAQSYGKGARRKNRFKGSDGSTSSDTTSNSFVRQGSADSYTSRPSDSDVSLEEDREAVRREAERQAQAQLEKAKTKPVAFAVRTNVSYSAAHEDDVPVPGMAISFEAKDFLHVKEKFNNDWWIGRLVKEGCEIGFIPSPVKLENMRLQHEQRAKQGKFYSSKS... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C | This approved drug compound targets the protein with sequence: MNCISDFFTYETTKSVVVKSWTIGIINRVVQLLIISYFVGWVFLHEKAYQVRDTAIESSVVTKVKGSGLYANRVMDVSDYVTPPQGTSVFVIITKMIVTENQMQGFCPESEEKYRCVSDSQCGPERLPGGGILTGRCVNYSSVLRTCEIQGWCPTEVDTVETPIMMEAENFTIFIKNSIRFPLFNFEKGNLLPNLTARDM... |
Does the following compound bind to the given protein target? | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MSPTPEWVMVGGEGPESYKQHSSYQRDLLKAAKDKINAVISTNLSLNLISNRFSVADFGCASGPNTFVAVQNIIDAVEEKYLRETGQNPDDNIEFQVLFNDLSNNDFNTLFQGLPSGRRYYSAAIPGSFFDRVLPKHSIHIGVMNYAFQFTSKIPKGISDRNSPLWNRDMHCTGFNNKVKKAYLDQFSLDSKNILDARAE... | 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: [H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)N(C)CC1=NC2=C(N)NC(=N)N=C2N=C1)C(O)=O | This approved drug compound targets the protein with sequence: MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O
Protein sequence: MEKDELTYHVPVLLKESVDGMNIHPDGTYVDVTFGGAGHSREILSRLGEGGRLLGFDQDEDAERNIVNDPHFTFVRSNFRYLQNFLRYHDIEQVDAILADLGVSSHHFDDSERGFSFRFDGALDMRMNKRAGLTAADIVNTYEEERLANIFYLYGELKNSRKLASAIVKARNGQSIRTIGEFLEIIKPLFGREREKKELA... | Yes, this compound binds to the given protein target. The SMILES structure COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGFISAAELRHVMTNLGEKLTDEEVDEMVREADIDGDGQVNYEEFVEMMTSK | 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: [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: MLLSVPLLLGLLGLAVAEPAVYFKEQFLDGDGWTSRWIESKHKSDFGKFVLSSGKFYGDEEKDKGLQTSQDARFYALSASFEPFSNKGQTLVVQFTVKHEQNIDCGGGYVKLFPNSLDQTDMHGDSEYNIMFGPDICGPGTKKVHVIFNYKGKNVLINKDIRCKDDEFTHLYTLIVRPDNTYEVKIDNSQVESGSLEDDW... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CCCc1cccc(C(C)C)c1O
Protein sequence: MKRTHNATELDIHLVGREVMLNGWVDTRRDHGGLIFVDLRDRSGIIQLVFSPEVKEEAFHLAEQIRSEYVIAVRGKLSLRPEATENPNLKTGKVEVYVEDIEVLSPAKTPPFYIENDIDVDENLRLKYRYLDLRRPEMRDNLLLRHRVVKCMRDFLDSRGFIEIETPILTKSTPEGARDYLVPSRVHPGEFYALPQSPQI... | 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. |
Identify the protein target for the following approved drug compound. | Drug SMILES: COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1 | This approved drug compound targets the protein with sequence: MAARLLAPPGPDSFKPFTPESLANIERRIAESKLKKPPKADGSHREDDEDSKPKPNSDLEAGKSLPFIYGDIPQGLVAVPLEDFDPYYLTQKTFVVLNRGKTLFRFSATPALYILSPFNLIRRIAIKILIHSVFSMIIMCTILTNCVFMTFSNPPDWSKNVEYTFTGIYTFESLVKIIARGFCIDGFTFLRDPWNWLDFS... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: O=S(=O)([O-])[O-].[Zn+2] | This approved drug compound targets the protein with sequence: MGPASPAARGLSRRPGQPPLPLLLPLLLLLLRAQPAIGSLAGGSPGAAEAPGSAQVAGLCGRLTLHRDLRTGRWEPDPQRSRRCLRDPQRVLEYCRQMYPELQIARVEQATQAIPMERWCGGSRSGSCAHPHHQVVPFRCLPGEFVSEALLVPEGCRFLHQERMDQCESSTRRHQEAQEACSSQGLILHGSGMLLPCGSD... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C | This approved drug compound targets the protein with sequence: MDSKESLTPGREENPSSVLAQERGDVMDFYKTLRGGATVKVSASSPSLAVASQSDSKQRRLLVDFPKGSVSNAQQPDLSKAVSLSMGLYMGETETKVMGNDLGFPQQGQISLSSGETDLKLLEESIANLNRSTSVPENPKSSASTAVSAAPTEKEFPKTHSDVSSEQQHLKGQTGTNGGNVKLYTTDQSTFDILQDLEFS... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1 | This approved drug compound targets the protein with sequence: MPDTNSTINLSLSTRVTLAFFMSLVAFAIMLGNALVILAFVVDKNLRHRSSYFFLNLAISDFFVGVISIPLYIPHTLFEWDFGKEICVFWLTTDYLLCTASVYNIVLISYDRYLSVSNAVSYRTQHTGVLKIVTLMVAVWVLAFLVNGPMILVSESWKDEGSECEPGFFSEWYILAITSFLEFVIPVILVAYFNMNIYWS... |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MKKPLGKIVASTALLISVAFSSSIASAAEEAKEKYLIGFNEQEAVSEFVEQVEANDEVAILSEEEEVEIELLHEFETIPVLSVELSPEDVDALELDPAISYIEEDAEVTTMAQSVPWGISRVQAPAAHNRGLTGSGVKVAVLDTGISTHPDLNIRGGASFVPGEPSTQDGNGHGTHVAGTIAALNNSIGVLGVAPNAELY... | 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: CC(=O)NCC1CN(c2cccc(F)c2)C(=O)O1
Protein sequence: MLSIRTVLGPLATILLTVLGPFGAHGSGLADKVIWAVNAGGESHVDVHGIHYRKDPLEGRVGRASDYGMKLPILRSNPEDQVLYQTERYNEDSFGYDIPIKEEGEYVLVLKFAEVYFAQSQQKVFDVRVNGHTVVKDLDIFDRVGHSTAHDEIIPISIKKGKLSVQGEVSTFTGKLSVEFVKGYYDNPKVCALFIMKGTA... | Yes, this compound binds to the given protein target. The SMILES structure CC(=O)NCC1CN(c2cccc(F)c2)C(=O)O1 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: MTFETIFVTLEEGKTLVFETGKIARQANGAVLARMQETWVFSSVCAANLEEPVDFLPLRVDYQEKFSSIGKTLGGFIKREGRPTEREILTSRLIDRSMRPSLPNRLMQDVQVLSYVWSYDGVTLPDPIAICGVSAALAISDIPQISVVAGVRVGFVNNSWVVNPTKAEMDVSRMELVLAGTENAILMIEGHCDFLTEEQV... | 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: CCCCCCCCCCCC(O)=O | This approved drug compound targets the protein with sequence: MKLVFLVLLFLGALGLCLAGRRRSVQWCAVSQPEATKCFQWQRNMRKVRGPPVSCIKRDSPIQCIQAIAENRADAVTLDGGFIYEAGLAPYKLRPVAAEVYGTERQPRTHYYAVAVVKKGGSFQLNELQGLKSCHTGLRRTAGWNVPIGTLRPFLNWTGPPEPIEAAVARFFSASCVPGADKGQFPNLCRLCAGTGENKC... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MKTPTDQRFDYVKIGLASPERIRQWGERTLPNGQVVGEVTKPETINYRTLKPEMDGLFCEKIFGPSKDWECWCGKYKRVRHRGIVCERCGVEVTESRVRRHRMGFIKLAAPVTHVWYLKGIPSYLSILLDMPLRDVEQIVYFNAYVVLDPGNAGNLSYKQLLSEDQWLEIEEEIYAEDSELVGIEVGIGAEAIQRLLQEI... | 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: OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 | This approved drug compound targets the protein with sequence: MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYST... |
What is the biological target of this clinically approved compound? | Drug SMILES: NS(=O)(=O)CC1=NOC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MEQTVLVPPGPDSFNFFTRESLAAIERRIAEEKAKNPKPDKKDDDENGPKPNSDLEAGKNLPFIYGDIPPEMVSEPLEDLDPYYINKKTFIVLNKGKAIFRFSATSALYILTPFNPLRKIAIKILVHSLFSMLIMCTILTNCVFMTMSNPPDWTKNVEYTFTGIYTFESLIKIIARGFCLEDFTFLRDPWNWLDFTVITF... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MSIAEKIKVLIVDDQVTSRLLLSDALTQLGFKQITSAGDGEQGMKIMTEQPHHLVISDFNMPKMDGIGFLQAVRTNPNTKKAAFIILTAQGDRALVQRAAQLGANNVLAKPFTIEKMKAAIEAVFGALK | 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: 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: MQSWSRVYCSLAKRGHFNRISHGLQGLSAVPLRTYADQPIDADVTVIGSGPGGYVAAIKAAQLGFKTVCIEKNETLGGTCLNVGCIPSKALLNNSHYYHMAHGKDFASRGIEMSEVRLNLDKMMEQKSTAVKALTGGIAHLFKQNKVVHVNGYGKITGKNQVTATKADGGTQVIDTKNILIATGSEVTPFPGITIDEDTI... |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MLLYNSKSYVLQLIFITLLLTQLNKVKSTSSTLTGFTFPNFWSNTQENGTEIIFLGNATYTPGALRLTRIGEDGIPLKSNAGQASYSRPVFLWDSTGHVASFYTSFSFIVRSIDVPHITADGFAFFLAPVDSSVKDYGGCLGLFRYKTATDPSKNQVVAVEFDTWPNTEWSDLRYPHIGINVNSTVSVATTRWDNDDAYV... | 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. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MSPQTETKTGFGFKAGVKDYRLNYYTPEYETKDTDILAAFRMTPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTSLDRYKGRCYDIEPVAGEENQYIAYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRVPPAYSKTFQGPPHGIQAERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFT... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: CC(C)CN1C=NC2=C1C1=C(C=CC=C1)N=C2N | This approved drug compound targets the protein with sequence: MENMFLQSSMLTCIFLLISGSCELCAEENFSRSYPCDEKKQNDSVIAECSNRRLQEVPQTVGKYVTELDLSDNFITHITNESFQGLQNLTKINLNHNPNVQHQNGNPGIQSNGLNITDGAFLNLKNLRELLLEDNQLPQIPSGLPESLTELSLIQNNIYNITKEGISRLINLKNLYLAWNCYFNKVCEKTNIEDGVFETL... |
Does the following compound bind to the given protein target? | Compound SMILES: CC/N=C(\N)Nc1nc2nc(NCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl
Protein sequence: MANISSPFGQNEWLVEEMYRKFRDDPSSVDPSWHEFLVDYNPESTAEPVLTDPTSTDKQPSATPQAKPAAAADPVASRAKPATTPTVANGTAAGSAAAPAKTTTTPPIEGDELQVLRGAAAVVVKNMSASLDVPTATSVRAVPAKLMIDNRTVINNQLKRNRGGKISFTHLLGYALVQAVKKFPNINRHYAEIDGKPIAV... | Yes, this compound binds to the given protein target. The SMILES structure CC/N=C(\N)Nc1nc2nc(NCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1 | This approved drug compound targets the protein with sequence: MEFPIGSLETNNFRRFTPESLVEIEKQIAAKQGTKKAREKHREQKDQEEKPRPQLDLKACNQLPKFYGELPAELIGEPLEDLDPFYSTHRTFMVLNKGRTISRFSATRALWLFSPFNLIRRTAIKVSVHSWFSLFITVTILVNCVCMTRTDLPEKIEYVFTVIYTFEALIKILARGFCLNEFTYLRDPWNWLDFSVITLA... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CC/N=C(\N)Nc1nc2nc(NCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl
Protein sequence: MGRLLDSIDSPLDLKRLPVDDLPRLCEEIREEIIQTCAKNGGHLGSSLGAVELNVALHYVYSSPTDKLVWDVGHQAYAHKLLTGRRERFRTIRTEGGLAGFPERHESEHDAFGVGHASTAISAALGMLEAKRLSGAPGKVVALVGDGAMTGGVAFEGLNQAGYLGRDLVVVLNDNEMSISPNVGALSEWFSKKFASRTYN... | Yes, this compound binds to the given protein target. The SMILES structure CC/N=C(\N)Nc1nc2nc(NCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: N[C@@H](CCC(O)=O)C(O)=O | This approved drug compound targets the protein with sequence: MGSPEGRFHFAIDRGGTFTDVFAQCPGGHVRVLKLLSEDPANYADAPTEGIRRILEQEAGMLLPRDQPLDSSHIASIRMGTTVATNALLERKGERVALLVTRGFRDLLHIGTQARGDLFDLAVPMPEVLYEEVLEVDERVVLHRGEAGTGTPVKGRTGDLLEVQQPVDLGALRGKLEGLLSRGIRSLAVVLMHSYTWAQH... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CC(=O)NC1=NN=C(S1)S(N)(=O)=O | This approved drug compound targets the protein with sequence: MPRRSLHAAAVLLLVILKEQPSSPAPVNGSKWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFNPSYDKIFSHLQHVKYKGQEA... |
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: MAEFPASLLILNGKSTDNLPLREAIMLLREEGMTIHVRVTWEKGDAARFVEEARKLGVATVIAGGGDGTINEVSTALIQCEGDDIPALGILPLGTANDFATSVGIPEALDKALKLAIAGNAIAIDMAQVNKQTCFINMATGGFGTRITTETPEKLKAALGGVSYIIHGLMRMDTLQPDRCEIRGENFHWQGDALVIGIGN... | 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: [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O | This approved drug compound targets the protein with sequence: MGNKQTIFTEEQLDNYQDCTFFNKKDILKLHSRFYELAPNLVPMDYRKSPIVHVPMSLIIQMPELRENPFKERIVAAFSEDGEGNLTFNDFVDMFSVLCESAPRELKANYAFKIYDFNTDNFICKEDLELTLARLTKSELDEEEVVLVCDKVIEEADLDGDGKLGFADFEDMIAKAPDFLSTFHIRI |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCN(CC)CCOC(=O)C1=C(Cl)C=C(N)C=C1 | This approved drug compound targets the protein with sequence: MAQSVLVPPGPDSFRFFTRESLAAIEQRIAEEKAKRPKQERKDEDDENGPKPNSDLEAGKSLPFIYGDIPPEMVSVPLEDLDPYYINKKTFIVLNKGKAISRFSATPALYILTPFNPIRKLAIKILVHSLFNMLIMCTILTNCVFMTMSNPPDWTKNVEYTFTGIYTFESLIKILARGFCLEDFTFLRDPWNWLDFTVIT... |
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: MTDTQDKNYIIALDQGTTSSRAIIFDRDANVVGTSQREFAQHYPQAGWVEHDPMEIFATQSATMVEALAQAGISHAQVAALGITNQRETTVVWDKETGRPVYNAIVWQCRRSTEICAQLKRDGHEDYIRETTGLVTDPYFSGTKLKWILDNVDGARERAERGELLFGTIDTWLIWKLTGGKVHVTDYTNASRTLMFNIHS... | 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: MEPNMDANSITITVEGMTCISCVRTIEQQIGKVNGVHHIKVSLEEKSATVIYNPKLQTPKTLQEAIDDMGFDALLHNANPLPVLTNTVFLTVTAPLALPWDHIQSTLLKTKGVTGVKISPQQRSAVVTIIPSVVSANQIVELVPDLSLDMGTQEKKSGTSEEHSTPQAGEVLLKMRVEGMTCHSCTSTIEGKVGKLQGVQ... | 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: MKPPARMVSPERRSDDVGDTALRPQQLSEFVGQQQARANLSIFIEAARKRGEALDHVLFVGPPGLGKTTLAQIVARELGVGFRATSGPVIAKAGDLAALLTNLEERDVLFIDEIHRLSPAVEEVLYPAMEDFQLDLIIGEGPAARSVKIDLSKFTLVGATTRAGLLTNPLRDRFGIPIRLNFYTVEELEGIVTRGARVLG... | 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: MGPMIRGDRDKDTICAISTPHGVGGISVIRVSGPQTLNIVSKICQFLPAHPESHKVYFGNLKNSQTGDEIDEVLATYFKEGRSFTGEEVIEISCHGSPLICQTILNQLVNLGARPADRGEFTFRAFMNGKLDLVQAESVLSLIESQSQQAAKLALRQLKGTLSHKLEEIEDDMTWILAHAEASIDFSTEGIEVIEENVIQ... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MAPRPRARPGVAVACCWLLTVVLRCCVSFNVDVKNSMTFSGPVEDMFGYTVQQYENEEGKWVLIGSPLVGQPKNRTGDVYKCPVGRGESLPCVKLDLPVNTSIPNVTEVKENMTFGSTLVTNPNGGFLACGPLYAYRCGHLHYTTGICSDVSPTFQVVNSIAPVQECSTQLDIVIVLDGSNSIYPWDSVTAFLNDLLERM... | 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. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: NC1CC1C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQKVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHHVKGKSYPFRGPFPPVWNPITYLDHNNFWRTMDDMGREIPSDAPWKAPLAEEWDNMTMKELLDKLCWTESAKQLATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIIS... |
What is the biological target of this clinically approved compound? | Drug SMILES: CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1 | This approved drug compound targets the protein with sequence: MGAPACALALCVAVAIVAGASSESLGTEQRVVGRAAEVPGPEPGQQEQLVFGSGDAVELSCPPPGGGPMGPTVWVKDGTGLVPSERVLVGPQRLQVLNASHEDSGAYSCRQRLTQRVLCHFSVRVTDAPSSGDDEDGEDEAEDTGVDTGAPYWTRPERMDKKLLAVPAANTVRFRCPAAGNPTPSISWLKNGREFRGEHR... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1C1=CC=CC=C1Cl)C(=O)OC | This approved drug compound targets the protein with sequence: MACPWKFLFKTKFHQYAMNGEKDINNNVEKAPCATSSPVTQDDLQYHNLSKQQNESPQPLVETGKKSPESLVKLDATPLSSPRHVRIKNWGSGMTFQDTLHHKAKGILTCRSKSCLGSIMTPKSLTRGPRDKPTPPDELLPQAIEFVNQYYGSFKEAKIEEHLARVEAVTKEIETTGTYQLTGDELIFATKQAWRNAPRC... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CNS(=O)(=O)CCC1=CC2=C(NC=C2C2CCN(C)CC2)C=C1 | This approved drug compound targets the protein with sequence: MDFLNSSDQNLTSEELLNRMPSKILVSLTLSGLALMTTTINSLVIAAIIVTRKLHHPANYLICSLAVTDFLVAVLVMPFSIVYIVRESWIMGQVVCDIWLSVDITCCTCSILHLSAIALDRYRAITDAVEYARKRTPKHAGIMITIVWIISVFISMPPLFWRHQGTSRDDECIIKHDHIVSTIYSTFGAFYIPLALILIL... |
Identify the protein target for the following approved drug compound. | Drug SMILES: C[C@@H](NCCC1=CC=C(O)C=C1)[C@@H](O)C1=CC=C(O)C=C1 | This approved drug compound targets the protein with sequence: MGDMANNSVAYSGVKNSLKEANHDGDFGITLAELRALMELRSTDALRKIQESYGDVYGICTKLKTSPNEGLSGNPADLERREAVFGKNFIPPKKPKTFLQLVWEALQDVTLIILEIAAIVSLGLSFYQPPEGDNALCGEVSVGEEEGEGETGWIEGAAILLSVVCVVLVTAFNDWSKEKQFRGLQSRIEQEQKFTVIRGG... |
Identify the protein target for the following approved drug compound. | Drug SMILES: COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1 | This approved drug compound targets the protein with sequence: MATNKERLFAAGALGPGSGYPGAGFPFAFPGALRGSPPFEMLSPSFRGLGQPDLPKEMASLSVETQSTSSEEMVPSSPSPPPPPRVYKPCFVCNDKSSGYHYGVSSCEGCKGFFRRSIQKNMVYTCHRDKNCIINKVTRNRCQYCRLQKCFEVGMSKEAVRNDRNKKKKEVKEEGSPDSYELSPQLEELITKVSKAHQET... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CCc1ccc(CCOc2ccc(CC(C(=O)OC)C(=O)OC)cc2)nc1
Protein sequence: MSGIESTEEPCDSMTESQSLSPLEPEERQTRKDSGLQSQSLTKRHFAFSPHRLITSISRHTSPHKPRPKSESRVPVPKLHSLPPQRLASPERDKPSIEGISKSFVSFLTAASVYAGFQDLEGEDQQVSPDDVSAGESEDQQADESSDEQEDDDQDDRTFYATDPSPTELTINENTPLPEPEPPRRTLRKARSRFEFSVVK... | Yes, this compound binds to the given protein target. The SMILES structure CCc1ccc(CCOc2ccc(CC(C(=O)OC)C(=O)OC)cc2)nc1 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CCN(CC)C(=O)NC1=CC=C(OCC(O)CNC(C)(C)C)C(=C1)C(C)=O | This approved drug compound targets the protein with sequence: MFRQEQPLAEGSFAPMGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAE... |
Identify the protein target for the following approved drug compound. | Drug SMILES: COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC | This approved drug compound targets the protein with sequence: MQRDHTMDYKESCPSVSIPSSDEHREKKKRFTVYKVLVSVGRSEWFVFRRYAEFDKLYNTLKKQFPAMALKIPAKRIFGDNFDPDFIKQRRAGLNEFIQNLVRYPELYNHPDVRAFLQMDSPKHQSDPSEDEDERSSQKLHSTSQNINLGPSGNPHAKPTDFDFLKVIGKGSFGKVLLAKRKLDGKFYAVKVLQKKIVLN... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MVYTKHIIVHKLKHLRQAKDYVENAEKTLVNESNEDHLTNLFPYISNPDKTMSKQLVSGHGITNVYDAANEFIATKKLKALSKGTDFNFDPQTGKVRFNVESLEKNNAVLGHHLIQSFSPDDNLTPEQIHEIGRQTILEFTGGEYEFVIATHVDREHIHNHIIFNSTNLYTGKQFDWKVIPKEKTKSGKAYDVTKNNFEK... | 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: COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1 | This approved drug compound targets the protein with sequence: MRRLSLWWLLSRVCLLLPPPCALVLAGVPSSSSHPQPCQILKRIGHAVRVGAVHLQPWTTAPRAASRAPDDSRAGAQRDEPEPGTRRSPAPSPGARWLGSTLHGRGPPGSRKPGEGARAEALWPRDALLFAVDNLNRVEGLLPYNLSLEVVMAIEAGLGDLPLLPFSSPSSPWSSDPFSFLQSVCHTVVVQGVSALLAFP... |
What is the biological target of this clinically approved compound? | Drug SMILES: [Zn] | This approved drug compound targets the protein with sequence: MAPSRKFFVGGNWKMNGRKQSLGELIGTLNAAKVPADTEVVCAPPTAYIDFARQKLDPKIAVAAQNCYKVTNGAFTGEISPGMIKDCGATWVVLGHSERRHVFGESDELIGQKVAHALAEGLGVIACIGEKLDEREAGITEKVVFEQTKVIADNVKDWSKVVLAYEPVWAIGTGKTATPQQAQEVHEKLRGWLKSNVSDA... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CCCCNC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O | This approved drug compound targets the protein with sequence: MEPRPTAPSSGAPGLAGVGETPSAAALAAARVELPGTAVPSVPEDAAPASRDGGGVRDEGPAAAGDGLGRPLGPTPSQSRFQVDLVSENAGRAAAAAAAAAAAAAAAGAGAGAKQTPADGEASGESEPAKGSEEAKGRFRVNFVDPAASSSAEDSLSDAAGVGVDGPNVSFQNGGDTVLSEGSSLHSGGGGGSGHHQHYY... |
What is the biological target of this clinically approved compound? | Drug SMILES: CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O | This approved drug compound targets the protein with sequence: MRSGCVVVHVWILAGLWLAVAGRPLAFSDAGPHVHYGWGDPIRLRHLYTSGPHGLSSCFLRIRADGVVDCARGQSAHSLLEIKAVALRTVAIKGVHSVRYLCMGADGKMQGLLQYSEEDCAFEEEIRPDGYNVYRSEKHRLPVSLSSAKQRQLYKNRGFLPLSHFLPMLPMVPEEPEDLRGHLESDMFSSPLETDSMDPF... |
Identify the protein target for the following approved drug compound. | 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: MELSPRSPPEMLEESDCPSPLELKSAPSKKMWIKLRSLLRYMVKQLENGEINIEELKKNLEYTASLLEAVYIDETRQILDTEDELQELRSDAVPSEVRDWLASTFTQQARAKGRRAEEKPKFRSIVHAVQAGIFVERMFRRTYTSVGPTYSTAVLNCLKNLDLWCFDVFSLNQAADDHALRTIVFELLTRHNLISRFKIP... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C
Protein sequence: MTDVSAAAGGATAEPPTATMSPTSVEPLTNGAKKSAMATTTETQTAAAAAAATTTPAATTTVTVTAAATTEASTSNQVKLARVENVLGSTSTSSPANETKPKSLPDGGNASVAPASSSSNSISTQTLIQSQSQPHAKTNKSTTVASQQDVDEVARLFEEKPEAFEKWLTERAPPEALSRLHEFIESRKPPKRPSVTSDLF... | Yes, this compound binds to the given protein target. The SMILES structure COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MNTSMQTYLVTQEDRSAGRSTTEIVEAAIDGGIDIVQLREKETTARRRYEIGQTVRTQTAQAGVTFLVNDRVDLAAAVNADGVHLGDDDLPVTAAREVLGQDAIIGRSVSTPAAAQRAEDIGADYLGVGAVYPTGTKDVTAESAEIGPKTVTAITDAVSIPVIGIGGITPSNTTEVIRAGADGVAVVSAITTADDPAAAT... | 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: MHLNTSICEVDNPDLTEEREKGTFDTDKMAAVIYGSEKLARRRREISEAVSKIPELADTQPFPFMDRLEKITEGSRKLEVLNNNIRDIIDYDDNGERLHIYQEVTGMEGHPLALHEVMFIPALVSQASKEQQEKWLGRARRREIIGCYAQTEMGHGTNLRKLETTATYFPDTQEFVLNTPTTTALKWWPGALGKSSNYAV... | 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. |
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: MASGVAVSDGVIKVFNDMKVRKSSTPEEVKKRKKAVLFCLSEDKKNIILEEGKEILVGDVGQTVDDPYATFVKMLPDKDCRYALYDATYETKESKKEDLVFIFWAPESAPLKSKMIYASSKDAIKKKLTGIKHELQANCYEEVKDRCTLAEKLGGSAVISLEGKPL |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(F)C(=O)NC1=O | This approved drug compound targets the protein with sequence: MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMCAWNPRDLPLMALPPCHALCQ... |
Describe the drug-target relationship for the following approved small molecule. | 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: MIMFPLFGKISLGILIFVLIEGDFPSLTAQTYLSIEEIQEPKSAVSFLLPEESTDLSLATKKKQPLDRRETERQWLIRRRRSILFPNGVKICPDESVAEAVANHVKYFKVRVCQEAVWEAFRTFWDRLPGREEYHYWMNLCEDGVTSIFEMGTNFSESVEHRSLIMKKLTYAKETVSSSELSSPVPVGDTSTLGDTTLSV... |
What is the biological target of this clinically approved compound? | Drug SMILES: OC[C@H]1O[C@@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O | This approved drug compound targets the protein with sequence: MSKPHSEAGTAFIQTQQLHAAMADTFLEHMCRLDIDSPPITARNTGIICTIGPASRSVETLKEMIKSGMNVARLNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKGSGTAEVELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVEVGSKIYVDDGLISLQVKQKGADFLVTEVENG... |
Does the following compound bind to the given protein target? | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MRGPVKIVATVGPSSSSASILAQMLSLGVDVARINASHGGVEQWNSMLESLRRAEEAVGKRVGVAVDLEGPRVRTGNSEPVKLEKGDLVTLGFMEGDVPVDARQFFETIDEGDIVLLDDGKIILQVESVEGFRVKARVLEGGVLGPRKGVVVRGKEPDLPPLSAKDRRALEFFADKGVSHVYVSFARSAEHVEKVRTVVR... | 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: ClC1=CC2=C(C=C1)N(CC1CC1)C(=O)CN=C2C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MWGLAGGRLFGIFSAPVLVAVVCCAQSVNDPGNMSFVKETVDKLLKGYDIRLRPDFGGPPVCVGMNIDIASIDMVSEVNMDYTLTMYFQQYWRDKRLAYSGIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWRGGDKAV... |
What is the biological target of this clinically approved compound? | Drug SMILES: [Zn++].CC([O-])=O.CC([O-])=O | This approved drug compound targets the protein with sequence: MKSLVLLLCLAQLWGCHSAPHGPGLIYRQPNCDDPETEEAALVAIDYINQNLPWGYKHTLNQIDEVKVWPQQPSGELFEIEIDTLETTCHVLDPTPVARCSVRQLKEHAVEGDCDFQLLKLDGKFSVVYAKCDSSPDSAEDVRKVCQDCPLLAPLNDTRVVHAAKAALAAFNAQNNGSNFQLEEISRAQLVPLPPSTYVE... |
Identify the protein target for the following approved drug compound. | Drug SMILES: FC(F)OC1=C(OCC2CC2)C=C(C=C1)C(=O)NC1=C(Cl)C=NC=C1Cl | This approved drug compound targets the protein with sequence: MEAEGSSAPARAGSGEGSDSAGGATLKAPKHLWRHEQHHQYPLRQPQFRLLHPHHHLPPPPPPSPQPQPQCPLQPPPPPPLPPPPPPPGAARGRYASSGATGRVRHRGYSDTERYLYCRAMDRTSYAVETGHRPGLKKSRMSWPSSFQGLRRFDVDNGTSAGRSPLDPMTSPGSGLILQANFVHSQRRESFLYRSDSDYD... |
Identify the protein target for the following approved drug compound. | Drug SMILES: COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2 | This approved drug compound targets the protein with sequence: MHGHSRNGQAHVPRRKRRNRFVKKNGQCNVYFANLSNKSQRYMADIFTTCVDTRWRYMLMIFSAAFLVSWLFFGLLFWCIAFFHGDLEASPGVPAAGGPAAGGGGAAPVAPKPCIMHVNGFLGAFLFSVETQTTIGYGFRCVTEECPLAVIAVVVQSIVGCVIDSFMIGTIMAKMARPKKRAQTLLFSHHAVISVRDGKL... |
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: MNIYAVGGAIRDDLLGVPVQDRDYVVVGATPEQMVAQGFRPVGKDFPVFLHPDTQEEYALARTERKTAAGYHGFQFYFAPDVTLDEDLARRDLTINAMAREVSPEGALVGPVIDPFDGQADLHARVFRHVGDAFVEDPVRILRIARFAARFADFTVADDTLALMRRMVDAGEADALVAERVWQEIARGLMEAKPSRMFAV... | 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. |
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: MSDRNPLIDADRRADEDNTLRPQTLDDFVGQAAARANLKVFIEAAKVRGEALDHVLFVGPPGLGKTTLAQIMAKELGVNFRSTSGPVIAKAGDLAALLTNLEERDVLFIDEIHRLSPAVEEILYPAMEDFQLDLIIGEGPAARSVKIDLAKFTLVAATTRLGLLTTPLRDRFGIPVRLNFYTVEELEYIVRRGARIMQMG... | 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: CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12
Protein sequence: MVLVWLLLLLTLLAGARLLWGQWKLRNLHLPPLVPGFLHLLQPNLPIYLLGLTQRLGPIYRLRLGLQDVVVLNSKRTIEEALVRKWVDFAGRPQIPSYKLASQHCPDISLGDYSLFWKAHKKLTRSALLLGVRSSMEPRVEQLTQEFCERMRAQAGTPVTIQKEFSVLTCSIICCLTFGDKEDTLVHALHDCVQDLMKTW... | 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. |
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