instruction stringclasses 8
values | input stringlengths 16 761 | output stringlengths 112 280 |
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Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H][C@@]12CCCN1C(=O)[C@]([H])([C@H](C)CC)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C | This approved drug compound targets the protein with sequence: MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCS... |
What is the biological target of this clinically approved compound? | Drug SMILES: CCO | This approved drug compound targets the protein with sequence: MTTSHQPQDRYKAVWLIFFMLGLGTLLPWNFFMTATQYFTNRLDMSQNVSLVTAELSKDAQASAAPAAPLPERNSLSAIFNNVMTLCAMLPLLLFTYLNSFLHQRIPQSVRILGSLVAILLVFLITAILVKVQLDALPFFVITMIKIVLINSFGAILQGSLFGLAGLLPASYTAPIMSGQGLAGFFASVAMICAIASGSE... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COc1cc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc(OC)c1O
Protein sequence: MAAKRGRNRSPSPDPEGMFAGMVVFMVEIGVQRRRLQIWKQKLVQMGAVIEEDRVTKKVTHVLAMNLEALLHKFGKERLSHFTARLMLYQWLEDSLTSGEKANEDLYVLKIDSEEVDKPKKSLPAISGSEDQSSPQKRTRYSPDAGDFKGVESHSNTQGSPDSPTSCSVPSTSASPGEGIAETPTSPQSESTSVYKPPDL... | Yes, this compound binds to the given protein target. The SMILES structure COc1cc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc(OC)c1O has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [Cu] | This approved drug compound targets the protein with sequence: MASKRALVILAKGAEEMETVIPVDVMRRAGIKVTVAGLAGKDPVQCSRDVVICPDASLEDAKKEGPYDVVVLPGGNLGAQNLSESAAVKEILKEQENRKGLIAAICAGPTALLAHEIGFGSKVTTHPLAKDKMMNGGHYTYSENRVEKDGLILTSRGPGTSFEFALAIVEALNGKEVAAQVKAPLVLKD |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CC1Cc2c(OCc3ccc(-c4ccccc4)cn3)ccc3c2c(c(CCSC(C)C(=O)O)n3Cc2ccc(Cl)cc2)S1
Protein sequence: MAPNIRKSHPLLKMVNNSLIDLPTPSNISTWWNFGSLLGICLTMQILTGLLLATHYTADTTLAFSSVAHTCRDVQYGWLIRNLHANGASFFFICIYLHIGRGFYYGSYLYKETWNTGVILLLTLMATAFVGYVLPWGQMSFWGATVITNLFSAIPYIGQTLVEWAWGGFSVDNPTLTRFFALHFLLPFAIAGLTLIHLTF... | Yes, this compound binds to the given protein target. The SMILES structure CC1Cc2c(OCc3ccc(-c4ccccc4)cn3)ccc3c2c(c(CCSC(C)C(=O)O)n3Cc2ccc(Cl)cc2)S1 has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCCN[C@H]1CCC2=C(C1)SC(N)=N2 | This approved drug compound targets the protein with sequence: MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCS... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CNCC[C@H](OC1=CC=CC2=CC=CC=C12)C1=CC=CS1 | This approved drug compound targets the protein with sequence: METTPLNSQKQLSACEDGEDCQENGVLQKVVPTPGDKVESGQISNGYSAVPSPGAGDDTRHSIPATTTTLVAELHQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSC... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: NCC(O)=O | This approved drug compound targets the protein with sequence: MTMPVNGAHKDADLWSSHDKMLAQPLKDSDVEVYNIIKKESNRQRVGLELIASENFASRAVLEALGSCLNNKYSEGYPGQRYYGGTEFIDELETLCQKRALQAYKLDPQCWGVNVQPYSGSPANFAVYTALVEPHGRIMGLDLPDGGHLTHGFMTDKKKISATSIFFESMPYKVNPDTGYINYDQLEENARLFHPKLIIA... |
Does the following compound bind to the given protein target? | Compound SMILES: CC#C[C@@]1(O)CC[C@@]2(CCO)c3ccc(O)cc3CC[C@@H]2C1
Protein sequence: MKNIIFMGPPGAGKGTQAKILCERLSIPQISTGDILREAVKNQTAMGIEAKRYMDAGDLVPDSVVIGIIKDRIREADCKNGFLLDGFPRTVEQAEALDTLLKNEGKSIDKAINLQVPDAELLKRLLGRAEIEGRADDNEVTIKNRLDNYNKKTLPLLDFYATRKKLSQVNGVGSLEEVTSLIQKELA | Yes, this compound binds to the given protein target. The SMILES structure CC#C[C@@]1(O)CC[C@@]2(CCO)c3ccc(O)cc3CC[C@@H]2C1 has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CC(C[N+](C)(C)C)OC(N)=O | This approved drug compound targets the protein with sequence: MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLW... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C
Protein sequence: MNNTQRIIVLDTETTGMNSVGPPYLNHRIIEIGAIEIINRRFTGKKFHTYIKPNRLIESDASKIHGITDDFLSDKPSFKDIAKDFFNYIKNSELIIHNASFDVGFINQEFSMLTKKIQDISNFCNIIDTLKIARKLFPGKKNTLDALCMRYKIKNSHRVLHGAILDAFLLGKLYLLMTSGQESIIFNKNIQNERNFRYIK... | 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: CCCc1cccc(C(C)C)c1O
Protein sequence: MAPPSVFSEVPQAQPVLVFKLTADFREDPDPRKVNLGVGAYRTDDCHPWVLPVVKKVEQKIANDNSLNHEYLPILGLAEFRSCASRLALGDDSPALKEKRVGGVQSLGGTGALRIGADFLARWYNGTNNKNTPVYVSSPTWENHNAVFSAAGFKDIRSYRYWDAEKRGLDLQGFLNDLENAPEFSIIVLHACAHNPTGTD... | 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. |
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: MYNVIFLGAPGSGKGTQGEVVAKELKLAHMATGDLFRKAIECGDELGDTVKSYMERGELVPDEITISVVLKHLAGLTDVTGIILDGFPRSLRQAEALDEALVQQGQGIGRVIYINVPGDELVRRLSGRWVCRSCQSPYQSGCAEVTKGKCSRCQGGLYQRPDDTPETVKERLKVYFSKTAPLIEYYRSKGKLSEIDGMAE... | 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: CC(C)CC1=CC=C(C=C1)[C@H](C)C(O)=O | This approved drug compound targets the protein with sequence: MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFLTRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADYGYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGSNMMFAFFAQHFTHQFFKTDH... |
What is the biological target of this clinically approved compound? | Drug SMILES: COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC | This approved drug compound targets the protein with sequence: MEGAAAPVAGDRPDLGLGAPGSPREAVAGATAALEPRKPHGVKRHHHKHNLKHRYELQETLGKGTYGKVKRATERFSGRVVAIKSIRKDKIKDEQDMVHIRREIEIMSSLNHPHIISIYEVFENKDKIVIIMEYASKGELYDYISERRRLSERETRHFFRQIVSAVHYCHKNGVVHRDLKLENILLDDNCNIKIADFGLS... |
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: MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEE... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CCN1C)C2=C6)=C(O)C=C5)=CC(OC)=C4O)C=C3 | This approved drug compound targets the protein with sequence: MGPSCPVFLSFTKLSLWWLLLTPAGGEEAKRPPPRAPGDPLSSPSPTALPQGGSHTETEDRLFKHLFRGYNRWARPVPNTSDVVIVRFGLSIAQLIDVDEKNQMMTTNVWLKQEWSDYKLRWNPTDFGNITSLRVPSEMIWIPDIVLYNNADGEFAVTHMTKAHLFSTGTVHWVPPAIYKSSCSIDVTFFPFDQQNCKMK... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: N=C(NCCCc1c[nH]cn1)NCCC(c1ccc(F)c(F)c1)c1ccccn1
Protein sequence: MMFCYQCEQTTRSPAGIGCTSEPGTCGKDEATAGLQDILTHLMKGIAQYARRARAMGVADRRTDDFIFYGLFTTLTNVNFTATRFVHLIQEASKRRERIKLLYEEAAREQGKTPEILSGPALFQPADSLEQLLRQAPSVAINADVEHLGSDVIGARALILYGMKGVAAYAQHARVLGYQSDEVDAQAEEILDYLASNPTD... | Yes, this compound binds to the given protein target. The SMILES structure N=C(NCCCc1c[nH]cn1)NCCC(c1ccc(F)c(F)c1)c1ccccn1 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: OC[C@H]1O[C@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O | This approved drug compound targets the protein with sequence: MGVRHPPCSHRLLAVCALVSLATAALLGHILLHDFLLVPRELSGSSPVLEETHPAHQQGASRPGPRDAQAHPGRPRAVPTQCDVPPNSRFDCAPDKAITQEQCEARGCCYIPAKQGLQGAQMGQPWCFFPPSYPSYKLENLSSSEMGYTATLTRTTPTFFPKDILTLRLDVMMETENRLHFTIKDPANRRYEVPLETPHV... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O
Protein sequence: MSESRTSADGGMETSYGFREVPGGEKQGLVNQVFHKVAKRYDIMNDVMSMGMHRVWKDAMIAALNPRKEPGYKVLDVAGGTGDIAFRIVEASGRQAHATVLDINGSMLGVGAERAEKKKLSANLTFVEANAEELPFEAASFDAYTIAFGIRNVPRIDVALAEAYRVLKRGGRLLVLEFSEVDMPLLDKIYDAWSFNAIPQ... | 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=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(COc3ccc(F)c(F)c3)no2)cc1
Protein sequence: MLDVKMIRQNPDFVKEQLGHRGVAASDIDDLLAADEKRRELIAKSEQLKSTRNQVSGEISQKKRNKEDASAEIAEMQKVSADVKTLDEERRTVDAQVQDMAAHLPNMPHPDVPVSLKEEDAVELRRIGTPRHFDFTPKAHWDIGEDLGILDFERGAKVSGSRFLYYVGDGAKLERAVYNFFLDQHEAEGYTEVLPPYMVT... | Yes, this compound binds to the given protein target. The SMILES structure O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(COc3ccc(F)c(F)c3)no2)cc1 has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MVKSRKISILLAVAMLVSIMIPTTAFAGPTKAPTKDGTSYKDLFLELYGKIKDPKNGYFSPDEGIPYHSIETLIVEAPDYGHVTTSEAFSYYVWLEAMYGNLTGNWSGVETAWKVMEDWIIPDSTEQPGMSSYNPNSPATYADEYEDPSYYPSELKFDTVRVGSDPVHNDLVSAYGPNMYLMHWLMDVDNWYGFGTGTRA... | 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: CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAII... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@](C)(CCC(O)=O)[C@@]1([H])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])C[C@]([H])(O)[C@]12C | This approved drug compound targets the protein with sequence: MASRLLRGAGTLAAQALRARGPSGAAAMRSMASGGGVPTDEEQATGLEREIMLAAKKGLDPYNVLAPKGASGTREDPNLVPSISNKRIVGCICEEDNTSVVWFWLHKGEAQRCPRCGAHYKLVPQQLAH |
Does the following compound bind to the given protein target? | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MQIHLLIVDALNLIRRIHAVQGSPCVKACQHALQQLIQHSQPSHAVAVFDEDDRSDSWRHQCLPDYKAGRSPMPDNLQQEMPLIRQAFNELGVACWHSPGNEADDLAATLVVKVAGAGHQVTIVSTDKGYCQLLAPNIQIRDYFQKRWLDMPFVKQEFGVLPRQLPDYWGLAGISSSKIPGVAGVGAKTATLLLQQADTL... | 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: CCCc1cccc(C(C)C)c1O
Protein sequence: MAKVVLAYSGGLDTSVAIPWLKENYGYEVIAMSADLGQGEELAPLREKAIKSGASKIYIEDVRREFVEDYIFPTLKAGAVYEGKYLLGTSMARPLIAKKLVEIARKEGAEAVAHGATGKGNDQVRFELAVKALAPDLKIIAPWREWDIRSREDAVDYASARGIPVPVTRERPYSLDRNLWHLSHEGADLEDPGNEPPSDV... | 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. |
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: MTRKLFTSESVTEGHPDKIADRIADAVLDAIYAKDNQARVACECLVSTGLILVAGQITTDCYVDIPRVARETVREIGYTRAKFGFDCDTCAVITSIDEQSPDIAMGVNEAWEKKQGEARDEVETLGAGDQGMMFGYATSETPEFMPMPIALAHALTRRLAAVRKERILPYLRPDGKSQVTVEYEDGRPVRVDTVVISTQH... | 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: OC1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2 | This approved drug compound targets the protein with sequence: MWGLAGGRLFGIFSAPVLVAVVCCAQSVNDPGNMSFVKETVDKLLKGYDIRLRPDFGGPPVCVGMNIDIASIDMVSEVNMDYTLTMYFQQYWRDKRLAYSGIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWRGGDKAV... |
Does the following compound bind to the given protein target? | Compound SMILES: COc1cc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc(OC)c1O
Protein sequence: MRLCDRDIEAWLDEGRLSITPRPPVERINGATVDVRLGNKFRTFRGHTAAFIDLSGPKDEVSAALDRVMSDEIVLPDGEAFYLHPGELALAVTYESVTLPPDLVGWLDGRSSLARLGLMVHVTAHRIDPGWSGCIVLEFYNSGKLPLALRPGMLIGALSFEPLSGPAARPYNRRQDAKYRDQQGAVASRIDKD | Yes, this compound binds to the given protein target. The SMILES structure COc1cc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc(OC)c1O has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: [Cl-].[Cl-].[Zn++] | This approved drug compound targets the protein with sequence: MASSWPPLELQSSNQSQLFPQNATACDNAPEAWDLLHRVLPTFIISICFFGLLGNLFVLLVFLLPRRQLNVAEIYLANLAASDLVFVLGLPFWAENIWNQFNWPFGALLCRVINGVIKANLFISIFLVVAISQDRYRVLVHPMASRRQQRRRQARVTCVLIWVVGGLLSIPTFLLRSIQAVPDLNITACILLLPHEAWHF... |
Does the following compound bind to the given protein target? | Compound SMILES: CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2C1O3
Protein sequence: MNPFHQRHFLRLLDFSSAEIHALLKLAAELKSTKKSGTEKALLTGKNIVLIFEKDSTRTRCSFEVAAYDQGANITYLGPSGNQIGHKESIKDTARILGRMYDGIQYRGYAQTIVESLAKYAGVPVWNGLTDEFHPTQLLADLLTIQEHQPEKPLSEIKFAYLGDARNNMGNTMLEAAALTGMDVRLIAPEKYWPNAALVT... | Yes, this compound binds to the given protein target. The SMILES structure CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2C1O3 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: MGVALREVLTEYKHPRTWETLAGTAAIDGNNALYQFLSIIRQPDGTPLMNSEGRITSHLSGVFFRTLRFLEKGIRPVYIFDGKPPALKQETIESRREVRREAGVQWEAALARGDQEEAYKQARASSRVTPEIIATSKELLTLMGVPCVQAPSEGEAQAASMAASGAVTYAVSQDYDSLLFGAPLLVRNLTVSSKRRVQGR... | 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: CS(=O)(=O)CCNCC1=CC=C(O1)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1 | This approved drug compound targets the protein with sequence: MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCW... |
What is the biological target of this clinically approved compound? | Drug SMILES: CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CN=CC=N1)B(O)O | This approved drug compound targets the protein with sequence: MALASVLERPLPVNQRGFFGLGGRADLLDLGPGSLSDGLSLAAPGWGVPEEPGIEMLHGTTTLAFKFRHGVIVAADSRATAGAYIASQTVKKVIEINPYLLGTMAGGAADCSFWERLLARQCRIYELRNKERISVAAASKLLANMVYQYKGMGLSMGTMICGWDKRGPGLYYVDSEGNRISGATFSVGSGSVYAYGVMDR... |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MDSRLALATEEPIKKDSLKRYKILCAVLLALLVIVSLGLGLGLGLRKPEEHIGSCRKKCFDSSHRGLEGCRCDSGCTDRGDCCWDFEDTCVKSTQIWTCNSFRCGETRLEAALCSCADDCLQRKDCCTDYKAVCQGEVPWVTEACASSQEPQCPEGFDQPPVILFSMDGFRAEYLQTWSTLLPNINKLKTCGLHSKYMRA... | 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: O.O.[Ca++].OP([O-])([O-])=O | This approved drug compound targets the protein with sequence: MRAWIFFLLCLAGRALAAPQQEALPDETEVVEETVAEVTEVSVGANPVQVEVGEFDDGAEETEEEVVAENPCQNHHCKHGKVCELDENNTPMCVCQDPTSCPAPIGEFEKVCSNDNKTFDSSCHFFATKCTLEGTKKGHKLHLDYIGPCKYIPPCLDSELTEFPLRMRDWLKNVLVTLYERDEDNNLLTEKQKLRVKKIH... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MKVLLIGGGAREHAIAMALKKNRSVELYTLMKNKNPGIYGLSKEVSFNNETDIDKIKEFAEKIRPELAIIGPEAPLGVGAADLLTEMGIPTVGPKKLPAQIETSKEFMRNLFKKYNIKGSLKYAAFNEYGENLEKFIDEMTGLGKDVVVKPAGLTGGKGVKVVGEQLKNNDDAKLYAKEVFEKSIGGGKIIVEEKLVGVE... | 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(c1c[nH]c2ccccc12)C(F)(F)F
Protein sequence: MAIQTSNLGYPRIGLQREWKKTLEAFWSNKIDEEQFLTTMKEIRLQHVKVQQEKGIELIPVGDFTYYDHVLDTAYMLGFIPSRFSEFTSYLDVYFAMARGSKDHVASEMTKWFNTNYHYIVPEYEEGLQISLKDNRPLRLYEEAKKELGVDGKPVILGPYTFLKLAKGYNEEQFATILKELVAPYVQLFSELHAAGAQII... | Yes, this compound binds to the given protein target. The SMILES structure O=C(c1c[nH]c2ccccc12)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(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 | This approved drug compound targets the protein with sequence: MRLRLRLLALLLLLLAPPARAPKPSAQDVSLGVDWLTRYGYLPPPHPAQAQLQSPEKLRDAIKVMQRFAGLPETGRMDPGTVATMRKPRCSLPDVLGVAGLVRRRRRYALSGSVWKKRTLTWRVRSFPQSSQLSQETVRVLMSYALMAWGMESGLTFHEVDSPQGQEPDILIDFARAFHQDSYPFDGLGGTLAHAFFPGE... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MGQRILGLDPGLAIVGFGALLCPDSRQGSLELLDFGVISTPAGAEIGDRLETIYQDLHQLIDLVQPDAVAVEKLFFYRMGNTIAVAQARGVLMLVLRQRRLPYCEFTPAQVKQALTGYGNAPKLAVQQAVQRELQLDAIPRPDDAADAVALALTAWFQQLA | 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: CC1=C(OC2=C(C=CC=C2C(=O)OCCN2CCCCC2)C1=O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLP... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MTVTMQYEKDVTVAALDGKRIAVIGYGSQGHAHAQNLRDTGHDVIIGVRAGKSFDKAKEDGFETFEVAEAAKQADVIMILAPDEIQADLYNEEIAPNLEAGNALGFAHGFNVHFEFIKVPADVDVFMCAPKGPGHLVRRTFEEGFGVPALYAVYQDATGNAKHIAMDWAKGVGSARVGLLETTFKEETEEDLFGEQAVLC... | 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: OC1N=C(C2=CC=CC=C2Cl)C2=C(NC1=O)C=CC(Cl)=C2 | This approved drug compound targets the protein with sequence: MDNGMFSGFIMIKNLLLFCISMNLSSHFGFSQMPTSSVKDETNDNITIFTRILDGLLDGYDNRLRPGLGERITQVRTDIYVTSFGPVSDTEMEYTIDVFFRQSWKDERLRFKGPMQRLPLNNLLASKIWTPDTFFHNGKKSIAHNMTTPNKLLRLEDDGTLLYTMRLTISAECPMQLEDFPMDAHACPLKFGSYAYPNSE... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CN1CCN(CC1)C1=CC=C(C(=O)NC2=NNC3=CC=C(CC4=CC(F)=CC(F)=C4)C=C23)C(NC2CCOCC2)=C1 | This approved drug compound targets the protein with sequence: MSSWIRWHGPAMARLWGFCWLVVGFWRAAFACPTSCKCSASRIWCSDPSPGIVAFPRLEPNSVDPENITEIFIANQKRLEIINEDDVEAYVGLRNLTIVDSGLKFVAHKAFLKNSNLQHINFTRNKLTSLSRKHFRHLDLSELILVGNPFTCSCDIMWIKTLQEAKSSPDTQDLYCLNESSKNIPLANLQIPNCGLPSAN... |
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: MTTFKQQTIKEKETKRKYCIKGTTANLTQTHPNGPVCVNRGEEVANTTTLLDSGGGINKKSLLQNLLSKCKTTFQQSFTNANITLKDEKWLKNVRTAYFVCDHDGSVELAYLPNVLPKELVEEFTEKFESIQTGRKKDTGYSGILDNSMPFNYVTADLSQELGQYLSEIVNPQINYYISKLLTCVSSRTINYLVSLNDSY... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)Cc1cccc2c1Cc1c-2nc(O)c2nc(-c3ccc(C(=O)O)cc3)cn12 has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O
Protein sequence: MNKKRSPKTVLAAGPSSKRGDLIELAVTALDEDGNGIGTHDGTNVHVIGALPDERVRARLTHVGKRHLHAEAVEVLTPSRARLAQPSCKRAGSCDGCPLIVMHYPDQLNWKRTFTERQIRRYQTLGAAEVLATLPSPNQLHYRNSAKLVVSGTFRRPVIGIYRRNSHQVMDIGTCPLHHPLINRVVTAVKEGIAKCKVQV... | 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. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(Cl)=C1Cl)C(=O)OC | This approved drug compound targets the protein with sequence: MSESEGGKDTTPEPSPANGAGPGPEWGLCPGPPAVEGESSGASGLGTPKRRNQHSKHKTVAVASAQRSPRALFCLTLANPLRRSCISIVEWKPFDILILLTIFANCVALGVYIPFPEDDSNTANHNLEQVEYVFLVIFTVETVLKIVAYGLVLHPSAYIRNGWNLLDFIIVVVGLFSVLLEQGPGRPGDAPHTGGKPGGF... |
What is the biological target of this clinically approved compound? | Drug SMILES: CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 | This approved drug compound targets the protein with sequence: MFRCGGLAAGALKQKLVPLVRTVCVRSPRQRNRLPGNLFQRWHVPLELQMTRQMASSGASGGKIDNSVLVLIVGLSTVGAGAYAYKTMKEDEKRYNERISGLGLTPEQKQKKAALSASEGEEVPQDKAPSHVPFLLIGGGTAAFAAARSIRARDPGARVLIVSEDPELPYMRPPLSKELWFSDDPNVTKTLRFKQWNGKE... |
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: MALREIIIIPDKQLRLISKPVETVSAEVRRLADDMFETMYEAPGIGLAAIQVAQPVRLITMDLVRKEGNSLTEPRAFINPEVISASEEMNVYEEGCLSIPEYYAEVERPKQVRIRYTDLDGNVKEEDADGLFATCIQHEIDHLNGVLFVDHISKLKRAMVMRKFEKAAKRGIKYV | 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. |
Does the following compound bind to the given protein target? | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MEIIKTLGEFIIDRQKDYPDASGELTSLFSSIRLAAKILHREINKAGLADITGAAGDENVQGEQQQKLDVYANERFKNALAQRGVVCGIASEEEEQFVRFEETKNLGGKYVVLIDPLDGSSNIDVNVSVGTIFSVYRRVSPEGEHVTEEDFLQPGHKQIAAGYIIYGSSTMLVYTTGNGVNGFTYDPTIGVFCLSHPNLR... | 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=CC2=NC3=C(C=CC(N)=C3)C=C2C=C1 | This approved drug compound targets the protein with sequence: MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSE... |
Does the following compound bind to the given protein target? | Compound SMILES: COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O
Protein sequence: MKIQLIAVGTKMPAWVERGFEEYRRRFPKDMPFELVEIGAGKRGKNADIPRILQKEGEAMLAAAGRSRLVTLDIPGKPWTTEQLAVQLEAWKLDGRDVALLVGGPEGLSPECKAAAEQSWSLSPLTLPHPLVRVLVAESLYRACSITTNHPYHRE | Yes, this compound binds to the given protein target. The SMILES structure COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1 | This approved drug compound targets the protein with sequence: MWRVRKRGYFGIWSFPLIIAAVCAQSVNDPSNMSLVKETVDRLLKGYDIRLRPDFGGPPVAVGMNIDIASIDMVSEVNMDYTLTMYFQQAWRDKRLSYNVIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWRGDDNAVT... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CC1=CC(=CC(C)=C1CC1=NCCN1)C(C)(C)C | This approved drug compound targets the protein with sequence: MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEE... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: Nc1c2c(nc3cc([N+](=O)[O-])ccc13)CCCC2
Protein sequence: MAITRWFFSTNHKDIGTLYLVFGAWAGMVGTALSLLIRAELSQPGALLGDDQIYNVIVTAHAFVMIFFMVMPIMIGGFGNWLIPLMIGAPDMAFPRMNNMSFWLLPPSFLLLLSSSGVEAGAGTGWTVYPPLAGNLAHAGASVDLTIFSLHLAGISSILGAINFITTIINMKPPAISQYQTPLFVWAVLVTAVLLLLSLP... | Yes, this compound binds to the given protein target. The SMILES structure Nc1c2c(nc3cc([N+](=O)[O-])ccc13)CCCC2 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 | This approved drug compound targets the protein with sequence: MAAALLARASGPARRALCPRAWRQLHTIYQSVELPETHQMLLQTCRDFAEKELFPIAAQVDKEHLFPAAQVKKMGGLGLLAMDVPEELGGAGLDYLAYAIAMEEISRGCASTGVIMSVNNSLYLGPILKFGSKEQKQAWVTPFTSGDKIGCFALSEPGNGSDAGAASTTARAEGDSWVLNGTKAWITNAWEASAAVVFAS... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: C[N+](C)(C)C[C@H](O)CC([O-])=O | This approved drug compound targets the protein with sequence: MALDFLAGCAGGVAGVLVGHPFDTVKVRLQVQSVEKPQYRGTLHCFKSIIKQESVLGLYKGLGSPLMGLTFINALVFGVQGNTLRALGHDSPLNQFLAGAAAGAIQCVICCPMELAKTRLQLQDAGPARTYKGSLDCLAQIYGHEGLRGVNRGMVSTLLRETPSFGVYFLTYDALTRALGCEPGDRLLVPKLLLAGGTSG... |
What is the biological target of this clinically approved compound? | Drug SMILES: CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CN=C(C=C1C1=CC=CC=C1C)N1CCN(C)CC1 | This approved drug compound targets the protein with sequence: MDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNKIYEKVYHICV... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C)C(=O)COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F
Protein sequence: MDYKETLNLPQTNFQMKANLVQKEPNMLKYWEEKEIYKKTLETREGAPTYLLHDGPPYANGDIHLGTAMNKILKDFVTRYKTMRGYRVPYVPGWDTHGLPIEHRVTTTLGEEAKKKSPVEIRKLCKEFALKYVDIQREEFKRLGVKGDWEHPYITLTPDYEYHILDVFKTLVENGNVYRGNKPVYWCP... | Yes, this compound binds to the given protein target. The SMILES structure CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C)C(=O)COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWR... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CN1CCC2=C(C1)C(C1=CC=CC=C21)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFY... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: Cc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)ccnc12
Protein sequence: MTTIVSVRRNGQVVIGGDGQATLGNTVMKGNVKKVRRLYNDKVIAGFAGGTADAFTLFELFERKLEMHQGHLVKAAVELAKDWRTDRMLRKLEALLAVADENASLIITGNGDVIQPENDLIAIGSGGPYAQAAARALLENTDIGARDIVEKALGIAGDICIYTNHNLTIEELSSKA | Yes, this compound binds to the given protein target. The SMILES structure Cc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)ccnc12 has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: O=C(O)Cc1cccc2c1Cc1c-2nc(O)c2nc(-c3ccc(C(=O)O)cc3)cn12
Protein sequence: MPAHMLQEISSSYTTTTTITEPPSGNLQNGREKMKKVPLYLEEDIRPEMREDIHDPSYQDEEGPPPKLEYVWRNIILMALLHVGALYGITLIPSSKVYTLLWGIFYYLISALGITAGAHRLWSHRTYKARLPLRIFLIIANTMAFQNDVYEWARDHRAHHKFSETHADPHNSRRGFFFSHVGWLLVRKHPAVKEKGGKLD... | 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. |
Identify the protein target for the following approved drug compound. | Drug SMILES: O.O.[Ca++].OP([O-])([O-])=O | This approved drug compound targets the protein with sequence: MRWRTILLQYCFLLITCLLTALEAVPIDIDKTKVQNIHPVESAKIEPPDTGLYYDEYLKQVIDVLETDKHFREKLQKADIEEIKSGRLSKELDLVSHHVRTKLDELKRQEVGRLRMLIKAKLDSLQDIGMDHQALLKQFDHLNHLNPDKFESTDLDMLIKAATSDLEHYDKTRHEEFKKYEMMKEHERREYLKTLNEEKR... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CCCNCC(O)COC1=C(C=CC=C1)C(=O)CCC1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MPVRRGHVAPQNTFLDTIIRKFEGQSRKFIIANARVENCAVIYCNDGFCELCGYSRAEVMQRPCTCDFLHGPRTQRRAAAQIAQALLGAEERKVEIAFYRKDGSCFLCLVDVVPVKNEDGAVIMFILNFEVVMEKDMVGSPAHDTNHRGPPTSWLAPGRAKTFRLKLPALLALTARESSVRSGGAGGAGAPGAVVVDVDL... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1 | This approved drug compound targets the protein with sequence: MAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIVAIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRVGADAEAQRCHSNPRCCAFAS... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MENHSKNIKIFTGNSHPELAREIAKALNIPLGKAEVGTFSDGEISVNIKETVRGCDVFIVQSTCSPVNNNLMELLIMIDAFKRASAGRINAVIPYYGYARQDRKAKSRDPITAKLVADLLTAAGADRVLTMDLHAAQIQGYFNIPVDHLLGSPILAKYFVEKGLADRDDVVVVSPDLGSVTRARKFADKLNAPIAIIDKR... | 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: NCC1=CC(=CC=C1)N1N=C(C=C1C(=O)NC1=CC(=CC=C1F)[C@H](NCC1CC1)C1=CC=CC(=C1)C#N)C(F)(F)F | This approved drug compound targets the protein with sequence: MILFKQATYFISLFATVSCGCLTQLYENAFFRGGDVASMYTPNAQYCQMRCTFHPRCLLFSFLPASSINDMEKRFGCFLKDSVTGTLPKVHRTGAVSGHSLKQCGHQISACHRDIYKGVDMRGVNFNVSKVSSVEECQKRCTNNIRCQFFSYATQTFHKAEYRNNCLLKYSPGGTPTAIKVLSNVESGFSLKPCALSEIG... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O
Protein sequence: MALRSVSRRLGSRILNQRSFVASLHSHATSFGFQEVKEEEKSKLVGNVFTNVASSYDIMNDVMSGGLHRLWKERLVGKLSPFAGMKHLDVAGGTGDVAFRIYDAVYSVKRRALQKVDEASLEETQIYVCDINPNMLNVGKQRAAERGLRDNKSLVWVEGDAEALSFDDNSMDGYTIAFGIRNVTHIEKALAEAYRVLKRG... | Yes, this compound binds to the given protein target. The SMILES structure COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: CN1C2=C(C=C(Cl)C=C2)C2(OC(C)=CC(=O)N2CC1=O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MGPLKAFLFSPFLLRSQSRGVRLVFLLLTLHLGNCVDKADDEDDEDLTVNKTWVLAPKIHEGDITQILNSLLQGYDNKLRPDIGVRPTVIETDVYVNSIGPVDPINMEYTIDIIFAQTWFDSRLKFNSTMKVLMLNSNMVGKIWIPDTFFRNSRKSDAHWITTPNRLLRIWNDGRVLYTLRLTINAECYLQLHNFPMDEH... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C
Protein sequence: MDPNCSCATAGDSCTCANSCTCKACKCTSCKKSCCSCCPPGCAKCAQGCICKGASDKCSCCA | 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. |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@](C)(CCC(O)=O)[C@@]1([H])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])C[C@]([H])(O)[C@]12C | This approved drug compound targets the protein with sequence: MSVLTPLLLRGLTGSARRLPVPRAKIHSLPPEGKLGIMELAVGLTSCFVTFLLPAGWILSHLETYRRPE |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1 | This approved drug compound targets the protein with sequence: MGPRIGPAGEVPQVPDKETKATMGTENTPGGKASPDPQDVRPSVFHNIKLFVLCHSLLQLAQLMISGYLKSSISTVEKRFGLSSQTSGLLASFNEVGNTALIVFVSYFGSRVHRPRMIGYGAILVALAGLLMTLPHFISEPYRYDNTSPEDMPQDFKASLCLPTTSAPASAPSNGNCSSYTETQHLSVVGIMFVAQTLLG... |
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: MSRLNINTKLVRRMLVGFLQDEIWKVGAKKAVLGLSGGIDSALVCHLAAEALGPENVHAICMPYRTSNPESEAHARLVAEASGVQFSVVGITPMVDAYFDQFPDANNMRRGNKMARERMTVLFDHSALYGGLVLGTSNKTELLLGYGTLYGDMASALNPIGDLYKTQVWQLSEEVGVPKPVIEKKPSADLWAGQTDEEEL... | 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: CCCCOC(=O)C1=CC=C(N)C=C1 | This approved drug compound targets the protein with sequence: MNASSRNVFDTLIRVLTESMFKHLRKWVVTRFFGHSRQRARLVSKDGRCNIEFGNVEAQSRFIFFVDIWTTVLDLKWRYKMTIFITAFLGSWFFFGLLWYAVAYIHKDLPEFHPSANHTPCVENINGLTSAFLFSLETQVTIGYGFRCVTEQCATAIFLLIFQSILGVIINSFMCGAILAKISRPKKRAKTITFSKNAVI... |
What is the biological target of this clinically approved compound? | Drug SMILES: CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1 | This approved drug compound targets the protein with sequence: MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWR... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MEFLYTYETLKLEFPLVEPEKARFILLGVPFDGTTSYKAGARFGPTLIRQATLNLESYILDYDLDIAELPIADIGDIAVVAGDPRKTADRVRETLEELKKANPKAIPILLGGEHSQTLGAVEALKPASYVVFDAHLDLRNSYEDNPYNHACVARRISELGVKEAIFGIRSGTKEEVDFARERDIPWVHARDYSFDAFVDL... | Yes, this compound binds to the given protein target. The SMILES structure Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12 has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MNPNQKITTIGSICMVIGIVSLMLQIGNIISIWVSHSIQTGNQHQAEPCNQSIITYENNTWVNQTYVNISNTNFLTEKAVASVTLAGNSSLCPISGWAVYSKDNGIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPHRTLMSCPVGEAPSPYNSRFESVAWSASACHDGTSWLTIGISGPDN... | 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: CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12 | This approved drug compound targets the protein with sequence: MAPKLLLLLCLFSGLHARSRKVEEDEYEDSSSNQKWVLAPKSQDTDVTLILNKLLREYDKKLRPDIGIKPTVIDVDIYVNSIGPVSSINMEYQIDIFFAQTWTDSRLRFNSTMKILTLNSNMVGLIWIPDTIFRNSKTAEAHWITTPNQLLRIWNDGKILYTLRLTINAECQLQLHNFPMDEHSCPLIFSSYGYPKEEMI... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C | This approved drug compound targets the protein with sequence: MAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIVAIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRVGADAEAQRCHSNPRCCAFAS... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1 | This approved drug compound targets the protein with sequence: MWTVQNRESLGLLSFPVMITMVCCAHSTNEPSNMSYVKETVDRLLKGYDIRLRPDFGGPPVDVGMRIDVASIDMVSEVNMDYTLTMYFQQSWKDKRLSYSGIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWNGGEGAV... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC | This approved drug compound targets the protein with sequence: MSSRTVLAPGNDRNSDTHGTLGSGRSSDKGPSWSSRSLGARCRNSIASCPEEQPHVGNYRLLRTIGKGNFAKVKLARHILTGREVAIKIIDKTQLNPSSLQKLFREVRIMKGLNHPNIVKLFEVIETEKTLYLVMEYASAGEVFDYLVSHGRMKEKEARAKFRQIVSAVHYCHQKNIVHRDLKAENLLLDAEANIKIADF... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2 | This approved drug compound targets the protein with sequence: MSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIY... |
What is the biological target of this clinically approved compound? | Drug SMILES: COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC | This approved drug compound targets the protein with sequence: MAVESQGGRPLVLGLLLCVLGPVVSHAGKILLIPVDGSHWLSMLGAIQQLQQRGHEIVVLAPDASLYIRDGAFYTLKTYPVPFQREDVKESFVSLGHNVFENDSFLQRVIKTYKKIKKDSAMLLSGCSHLLHNKELMASLAESSFDVMLTDPFLPCSPIVAQYLSLPTVFFLHALPCSLEFEATQCPNPFSYVPRPLSSH... |
What is the biological target of this clinically approved compound? | Drug SMILES: [Zn] | This approved drug compound targets the protein with sequence: MSRLPVLLLLQLLVRPGLQAPMTQTTPLKTSWVNCSNMIDEIITHLKQPPLPLLDFNNLNGEDQDILMENNLRRPNLEAFNRAVKSLQNASAIESILKNLLPCLPLATAAPTRHPIHIKDGDWNEFRRKLTFYLKTLENAQAQQTTLSLAIF |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MKVAVLGAAGGIGQALALLLKTQLPSGSELSLYDIAPVTPGVAVDLSHIPTAVKIKGFAGEDATPALEGADVVLISAGVARKPGMDRSDLFNVNAGIVKNLVQQIATTCPKACIGIITNPVNTTVAIAAEVLKKAGVYDKNKLFGVTTLDIIRSNTFVAELKGKQPDEIEVPVIGGHSGVTILPLLSQIPGVSFTEQEVA... | Yes, this compound binds to the given protein target. The SMILES structure COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1 | This approved drug compound targets the protein with sequence: MEDHMFGVQQIQPNVISVRLFKRKVGGLGFLVKERVSKPPVIISDLIRGGAAEQSGLIQAGDIILAVNGRPLVDLSYDSALEVLRGIASETHVVLILRGPEGFTTHLETTFTGDGTPKTIRVTQPLGPPTKAVDLSHQPPAGKEQPLAVDGASGPGNGPQHAYDDGQEAGSLPHANGLAPRPPGQDPAKKATRVSLQGRG... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CCCOC(=O)C1C(C(=O)O)C2CC[C@H]1O2
Protein sequence: MFFMDSKNLFKKAAELIKSSQKTMVLTGAGISTESGIPDFRSPGTGLWENMDPTEVLSTKVLFNSPEEFYRVGFKILSSMRNAEPNEAHYILSEMEKEGIIAGVITQNIDNLHQKAGSKKVYEVHGNTREGSCLRCGEKVSFELLEEKVAKEEIPPRCDRCGGMLRPDVVLFGDPMPHAFDLALKEVQESDLLIVIGSSL... | Yes, this compound binds to the given protein target. The SMILES structure CCCOC(=O)C1C(C(=O)O)C2CC[C@H]1O2 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CCOC(=O)NC1=CC2=C(SC3=CC=CC=C3N2C(=O)CCN2CCOCC2)C=C1 | This approved drug compound targets the protein with sequence: MANFLLPRGTSSFRRFTRESLAAIEKRMAEKQARGSTTLQESREGLPEEEAPRPQLDLQASKKLPDLYGNPPQELIGEPLEDLDPFYSTQKTFIVLNKGKTIFRFSATNALYVLSPFHPIRRAAVKILVHSLFNMLIMCTILTNCVFMAQHDPPPWTKYVEYTFTAIYTFESLVKILARGFCLHAFTFLRDPWNWLDFSV... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MRVPEKYSTLPAEDRSVHIVNICAIEDLGYLPSEGTLLNSLSVDPDAECKYGLYFRDGKRKVDYILVYHHKRASGSRTLARRGLQNDMVLGTRSVRQDQPLPGKGSPVDAGSPEVPMDYHEDDKRFRREEYEGNLLEAGLELENDEDTKIHGVGFVKIHAPWHVLCREAEFLKLKMPTKKVYHISETRGLLKTINSVLQK... | 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: CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12
Protein sequence: MDHKMSMYLFVSYLAIFTLFFKGFVSSFPSGYNNGYNNGHGHGLTSNLNYRFYDRSCPRLQTIVKSGVWRAFKDDSRIAASLLRLHFHDCFVNGCDGSILLNDSEDFKGEKNAQPNRNSVRGFEVIEDIKSDIESSCPLTVSCADIVALAAREAVVLTGGPFWPVPLGRRDSLTASEQAANTNLPSPFEALENITAKFVT... | Yes, this compound binds to the given protein target. The SMILES structure CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12 has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MIRVGIVGFGTIGKRIADAVAAQGDMHVSGVLKVTPDYEVLVAAAKGFKVYTLPDRVEKFKKAGIEPAGTIEDLIKASDVIIDASPEDVGAENKEKYYSKFDKPVIFQGGEEAEVAEVSFNALANYDEARGRRYVRVVSCNTTGITRVLTSLMLNGVGIKKARIFIARRGADPKEYKKGPINDVVPNPATVPSHHGPDVK... | Yes, this compound binds to the given protein target. The SMILES structure COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MAILNMQDLELQGKRVLIREDLNVPVKDGVVTSDARLRASLPTIKLALEKGAAVMVMSHLGRPTEGEFNAEFSMQPVVDYLTKALDCPVSLATEYLDGVEVAVGEVVVFENVRFNVGEKKNDEALAKKMAALCDVYVMDAFGTAHRAQASTHGVGLHAPIACAGPLLAGELAALGKALDNPARPMVAIVGGSKVSTKLTV... | 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: CN(C)CC\C=C1\C2=CC=CC=C2SC2=CC=C(Cl)C=C12 | This approved drug compound targets the protein with sequence: MEGSWFHRKRFSFYLLLGFLLQGRGVTFTINCSGFGQHGADPTALNSVFNRKPFRPVTNISVPTQVNISFAMSAILDVNEQLHLLSSFLWLEMVWDNPFISWNPEECEGITKMSMAAKNLWLPDIFIIELMDVDKTPKGLTAYVSNEGRIRYKKPMKVDSICNLDIFYFPFDQQNCTLTFSSFLYTVDSMLLDMEKEVWE... |
Identify the protein target for the following approved drug compound. | Drug SMILES: C[N+](C)(C)CCOC(N)=O | 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: [Zn] | This approved drug compound targets the protein with sequence: MVTPALQMKKPKQFCRRMGQKKQRPARAGQPHSSSDAAQAPAEQPHSSSDAAQAPCPRERCLGPPTTPGPYRSIYFSSPKGHLTRLGLEFFDQPAVPLARAFLGQVLVRRLPNGTELRGRIVETEAYLGPEDEAAHSRGGRQTPRNRGMFMKPGTLYVYIIYGMYFCMNISSQGDGACVLLRALEPLEGLETMRQLRSTL... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C
Protein sequence: MDVILMLNKRELAYWCVVNDRKLYLLDNAIPLLEKSELTFNTDSARVIGEYLDHPVYWLEANNCLHSDDFYTQRELLGIDQALFDLAGRATQLSHMLHTQSFCSVCGGAAVLADDQFAMVCQQCSNAQYPRVSPCIIVAVRKEDQILLAQHPRHKTGIYTVIAGFVEAGETLEQCVAREVEEETGIQVKNIRYFSSQPWA... | 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. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CCN(CC)CCNC(=O)C1=CC=C(N)C=C1 | This approved drug compound targets the protein with sequence: MPARTAPARVPTLAVPAISLPDDVRRRLKDLERDSLTEKECVKEKLNLLHEFLQTEIKNQLCDLETKLRKEELSEEGYLAKVKSLLNKDLSLENGAHAYNREVNGRLENGNQARSEARRVGMADANSPPKPLSKPRTPRRSKSDGEAKPEPSPSPRITRKSTRQTTITSHFAKGPAKRKPQEESERAKSDESIKEEDKDQ... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC | This approved drug compound targets the protein with sequence: MAEKQKHDGRVKIGHYVLGDTLGVGTFGKVKIGEHQLTGHKVAVKILNRQKIRSLDVVGKIKREIQNLKLFRHPHIIKLYQVISTPTDFFMVMEYVSGGELFDYICKHGRVEEMEARRLFQQILSAVDYCHRHMVVHRDLKPENVLLDAHMNAKIADFGLSNMMSDGEFLRTSCGSPNYAAPEVISGRLYAGPEVDIWSC... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CN1C(=O)c2ccc(Br)cc2C2(CC(=O)N2)C1=O
Protein sequence: MSTITFVTGNANKLKEVIAILASSETDSSSSSSSLSSSNKVGKFTITNQSVDLDEVQGTIEQVTIHKAQAAAKVIDGPVLVEDTCLGFNAFNDLPGPYIKWFVQSIGLTGLVKMLIGFEDKSAKAICTFGYCEGPDKEVKIFQGITEGKIVDSRGPTNFGWDSIFQPNGFEQTYAEMDKKVKNSISHRYKALDKVRDYLL... | Yes, this compound binds to the given protein target. The SMILES structure CN1C(=O)c2ccc(Br)cc2C2(CC(=O)N2)C1=O has documented binding affinity with the specified peptide sequence. |
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