instruction stringclasses 8
values | input stringlengths 16 761 | output stringlengths 112 280 |
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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: MGSNKSKPKDASQRRRSLEPAENVHGAGGGAFPASQTPSKPASADGHRGPSAAFAPAAAEPKLFGGFNSSDTVTSPQRAGPLAGGVTTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLSTGQTGYIPSNYVAPSDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKGAYCLSVSDFDNAKGL... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CC(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)NCCc2cc3c(cc2[N+](=O)[O-])OCO3)CC1
Protein sequence: MGSVPVPVANVPRIDVSPLFGDDKEKKLEVARAIDAASRDTGFFYAVNHGVDLPWLSRETNKFHMSITDEEKWQLAIRAYNKEHESQIRAGYYLPIPGKKAVESFCYLNPSFSPDHPRIKEPTPMHEVNVWPDEAKHPGFRAFAEKYYWDVFGLSSAVLRGYALALGRDEDFFTRHSRRDTTLSSVVLIRYPYLDPYPEP... | Yes, this compound binds to the given protein target. The SMILES structure CC(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)NCCc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 | This approved drug compound targets the protein with sequence: MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATGYHFNVMTCEGCKGFFRRAMKRNARLRCPFRKGACEITRKTRRQCQACRLRKCLESGMKKEMIMSDEAVEERRALIKRKKSERTGTQPLGVQGLTEEQRMMIRELMDAQMKTFDTTFSHFKNFRLPGVLSSGCELPESLQAPSREEAAKWS... |
Does the following compound bind to the given protein target? | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MSGVVVVGAQWGDEGKGKLIDVFAEKADMVVRYQGGANAGHTLVVNGQKTVLHLVPSGILRPETTCVIASGVVIDVFSIRDEIKKLKDTGFLQNPKQLLISDTATLILPYHKALDAAREAALSDGKIGTTGKGIGPAYEDRASRRAILFGDLFDKDNLKKKLELALTEKNFMLENYYKGSTFKADDLIKDLLAVAEELAP... | 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: O.O.[Ca++].OP([O-])([O-])=O | This approved drug compound targets the protein with sequence: MLLSVPLLLGLLGLAVAEPAVYFKEQFLDGDGWTSRWIESKHKSDFGKFVLSSGKFYGDEEKDKGLQTSQDARFYALSASFEPFSNKGQTLVVQFTVKHEQNIDCGGGYVKLFPNSLDQTDMHGDSEYNIMFGPDICGPGTKKVHVIFNYKGKNVLINKDIRCKDDEFTHLYTLIVRPDNTYEVKIDNSQVESGSLEDDW... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C | This approved drug compound targets the protein with sequence: MGPLKAFLFSPFLLRSQSRGVRLVFLLLTLHLGNCVDKADDEDDEDLTVNKTWVLAPKIHEGDITQILNSLLQGYDNKLRPDIGVRPTVIETDVYVNSIGPVDPINMEYTIDIIFAQTWFDSRLKFNSTMKVLMLNSNMVGKIWIPDTFFRNSRKSDAHWITTPNRLLRIWNDGRVLYTLRLTINAECYLQLHNFPMDEH... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MALSWVLTVLSLLPLLEAQIPLCANLVPVPITNATLDRITGKWFYIASAFRNEEYNKSVQEIQATFFYFTPNKTEDTIFLREYQTRQNQCFYNSSYLNVQRENGTVSRYEGGREHVAHLLFLRDTKTLMFGSYLDDEKNWGLSFYADKPETTKEQLGEFYEALDCLCIPRSDVMYTDWKKDKCEPLEKQHEKERKQEEGE... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: FC(F)(F)CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MDAPARLLAPLLLLCAQQLRGTRAMNDIGDYVGSNLEISWLPNLDGLIAGYARNFRPGIGGPPVNVALALEVASIDHISEANMEYTMTVFLHQSWRDSRLSYNHTNETLGLDSRFVDKLWLPDTFIVNAKSAWFHDVTVENKLIRLQPDGVILYSIRITSTVACDMDLAKYPMDEQECMLDLESYGYSSEDIVYYWSESQ... |
Identify the protein target for the following approved drug compound. | Drug SMILES: O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]1OS(O)(=O)=O | This approved drug compound targets the protein with sequence: MSGPGTAAVALLPAVLLALLAPWAGRGGAAAPTAPNGTLEAELERRWESLVALSLARLPVAAQPKEAAVQSGAGDYLLGIKRLRRLYCNVGIGFHLQALPDGRIGGAHADTRDSLLELSPVERGVVSIFGVASRFFVAMSSKGKLYGSPFFTDECTFKEILLPNNYNAYESYKYPGMFIALSKNGKTKKGNRVSPTMKVT... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C | This approved drug compound targets the protein with sequence: MEGSKTSNNSTMQVSFVCQRCSQPLKLDTSFKILDRVTIQELTAPLLTTAQAKPGETQEEETNSGEEPFIETPRQDGVSRRFIPPARMMSTESANSFTLIGEASDGGTMENLSRRLKVTGDLFDIMSGQTDVDHPLCEECTDTLLDQLDTQLNVTENECQNYKRCLEILEQMNEDDSEQLQMELKELALEEERLIQELED... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CCCCCCCCCCc1cccc(O)c1O
Protein sequence: MHKDLKNVLLSEEDIQNICKEMGAIITEDYKDRPLVCVGILKGSVMFMADLIKRIDTHLSIDFMDVSSYHGGTESTGEVQILKDLGASIENKDVLIIEDILETGTTLKSITELLQSRKVNSLEIATLLDKPNRRKADIEAKYVGKKIPDEFVVGYGLDYRELYRNLPYIGTLKAEVYSK | Yes, this compound binds to the given protein target. The SMILES structure CCCCCCCCCCc1cccc(O)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: CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)=O | This approved drug compound targets the protein with sequence: MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFLTRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADYGYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGSNMMFAFFAQHFTHQFFKTDH... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CC#C[C@@]1(O)CC[C@@]2(CCO)c3ccc(O)cc3CC[C@@H]2C1
Protein sequence: MEPELEHTLPGTLTWSHSGGPESQEMDFLEQGENSWPSPAVATSSERTCAIRGVKASRWTRQEAVEEAEPPGLGEGAQSRPAAESTRQEATFPKATPLAQAVPLAEAETSPTGWDLLLPDCAASAGGSSTGDLELTIEFPAPEAWDCELEGLGKDRPRPGPSPQAPLLGLSWDDELQKPGAQVYMHFMQEHTCYDAMATS... | 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. |
What is the biological target of this clinically approved compound? | Drug SMILES: NCC(O)=O | This approved drug compound targets the protein with sequence: MIQLTATPVSALVDEPVHIRATGLIPFQMVSFQASLEDENGDMFYSQAHYRANEFGEVDLNHASSLGGDYMGVHPMGLFWSLKPEKLLTRLLKRDVMNRPFQVQVKLYDLELIVNNKVASAPKASLTLERWYVAPGVTRIKVREGRLRGALFLPPGEGLFPGVIDLFGGLGGLLEFRASLLASRGFASLALAYHNYEDLP... |
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: MQPDLHCRTLAAHTLKHFRALSPLTHCMTNDVVQTFTANTLLALGASPAMVIDPVEARPFAAIANALLINVGTLTASRADAMRAAVESAYDAKTPWTLDPVAVGALEFRRRFCLDLLSLRPAAIRGNASEILALSGMALGGRGVDTTEAALAALPAAQALARQIDCIVVVTGEIDYVTNGQRTLSIPGGDPLMTRIVGTG... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1 | This approved drug compound targets the protein with sequence: MLSKVLPVLLGILLILQSRVEGPQTESKNEASSRDVVYGPQPQPLENQLLSEETKSTETETGSRVGKLPEASRILNTILSNYDHKLRPGIGEKPTVVTVEISVNSLGPLSILDMEYTIDIIFSQTWYDERLCYNDTFESLVLNGNVVSQLWIPDTFFRNSKRTHEHEITMPNQMVRIYKDGKVLYTIRMTIDAGCSLHML... |
What is the biological target of this clinically approved compound? | Drug SMILES: COC(=O)CC[C@@H]1N=C(C2=CC=CC=N2)C2=CC(Br)=CC=C2N2C(C)=CN=C12 | This approved drug compound targets the protein with sequence: MGIRGMLRAAVILLLIRTWLAEGNYPSPIPKFHFEFSSAVPEVVLNLFNCKNCANEAVVQKILDRVLSRYDVRLRPNFGGAPVPVRISIYVTSIEQISEMNMDYTITMFFHQTWKDSRLAYYETTLNLTLDYRMHEKLWVPDCYFLNSKDAFVHDVTVENRVFQLHPDGTVRYGIRLTTTAACSLDLHKFPMDKQACNLV... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O | This approved drug compound targets the protein with sequence: MTEDKVTGTLVFTVITAVLGSFQFGYDIGVINAPQQVIISHYRHVLGVPLDDRKAINNYVINSTDELPTISYSMNPKPTPWAEEETVAAAQLITMLWSLSVSSFAVGGMTASFFGGWLGDTLGRIKAMLVANILSLVGALLMGFSKLGPSHILIIAGRSISGLYCGLISGLVPMYIGEIAPTALRGALGTFHQLAIVTGI... |
What is the biological target of this clinically approved compound? | Drug SMILES: BrC1=CC2=C(NC(=O)CN=C2C2=CC=CC=N2)C=C1 | This approved drug compound targets the protein with sequence: MDAPARLLAPLLLLCAQQLRGTRAMNDIGDYVGSNLEISWLPNLDGLIAGYARNFRPGIGGPPVNVALALEVASIDHISEANMEYTMTVFLHQSWRDSRLSYNHTNETLGLDSRFVDKLWLPDTFIVNAKSAWFHDVTVENKLIRLQPDGVILYSIRITSTVACDMDLAKYPMDEQECMLDLESYGYSSEDIVYYWSESQ... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O | This approved drug compound targets the protein with sequence: MPSETPQAEVGPTGCPHRSGPHSAKGSLEKGSPEDKEAKEPLWIRPDAPSRCTWQLGRPASESPHHHTAPAKSPKILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSP... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCO | This approved drug compound targets the protein with sequence: MLPDFMLVLIVLGIPSSATTGFNSIAENEDALLRHLFQGYQKWVRPVLHSNDTIKVYFGLKISQLVDVDEKNQLMTTNVWLKQEWTDHKLRWNPDDYGGIHSIKVPSESLWLPDIVLFENADGRFEGSLMTKVIVKSNGTVVWTPPASYKSSCTMDVTFFPFDRQNCSMKFGSWTYDGTMVDLILINENVDRKDFFDNGE... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MHPAHLLVPLGVCVSLLGAARIPPLPLSLVEFRILIKCANHNSRNVLDYADYGCYCGKGGSGTPVDELDRCCQAHDYCYDDAEKLPACNYRFSGPYWNPYSYKCNEGEVTCTDDNDECKAFICNCDRTAAICFAGAPYNDENFMITIKKKNICQ | 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: CCc1nnc(O)n2c(C(C)CC)nc(C)c12
Protein sequence: ITAGSSLAGTTLSGLAASGYRVTCAIQVENWTRYPLLYPTVRVNYNGAVTVNPSPILPGKKEGFSVRKPSGTATGVSGTVSWELSGAHRRFVLMWSAPFNFDHYSNWMGVGLTQPGVTRVPPGKAWFDLMYYGPTDCKGELRYERGEFYYTIDPVIYRDENFEIVGTMTNVHNALIKVVIRPTRKNWKDL | Yes, this compound binds to the given protein target. The SMILES structure CCc1nnc(O)n2c(C(C)CC)nc(C)c12 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@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O | This approved drug compound targets the protein with sequence: MMWSNFFLQEENRRRGAAGRRRAHGQGRSGLTPEREGKVKLALLLAAVGATLAVLSVGTEFWVELNTYKANGSAVCEAAHLGLWKACTKRLWQADVPVDRDTCGPAELPGEANCTYFKFFTTGENARIFQRTTKKEVNLAAAVIAVLGLAVMALGCLCIIMVLSKGAEFLLRVGAVCFGLSGLLLLVSLEVFRHSVRALL... |
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: MIISKEVKLVVENEDAVTSGEVENSEEEAMELSLRPQTLDQYLGQKRVKKEMSIYIKAAKQRDEALDHVLLYGPPGLGKTTLAFVIANELGVHLKSTSGPAIEKAGDLVALLSDLDPGDVLFIDEIHRLAKPVEEVLYSAMEDYYIDIVIGEGQTTHAVHVPLPPFTLIGATTLAGQLSAPLRDRFGIVEHMQYYTIDEL... | 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: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MLDSIIKILFGSKHERDIKAMLPILHKINEKEAWALSLSEEEFKAKTDEFRERYQKGESLDSFIPEAFALAREAARRILGERPYDVQILGSLVLHSGKIVEMKTGEGKTLMSVAAAYLNSLTGKGVHIVTVNDYLAERDADWMRPVYSYLGVSVGVILSNMENDARRIEYNCDITYGTNNEFGFDYLRDNMQMRLKDKTQ... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H][C@@](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: MQALRVSQALIRSFSSTARNRFQNRVREKQKLFQEDNDIPLYLKGGIVDNILYRVTMTLCLGGTVYSLYSLGWASFPRN |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MTGIWDVRITDTSLRDGSHHKRHQFIKEEVGAIVAALDAAGVPVIEVTHGDGLGGSSFNYGFSKTSEQELIKLAAQTAKEAKIAFLMLPGVGTKEDIKEAQDNGGSICRIATHCTEADVSIQHLGLARELGLETVGFLMMAHTIAPEKLAAQARIMADAGCQCVYVVDSAGALVLDGVADRVAALVAELGEDAQVGFHGH... | Yes, this compound binds to the given protein target. The SMILES structure Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12 has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: Cc1cccc(CCCOP(=O)(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)OCCCc2cccc(C)n2)n1
Protein sequence: MACGLVASNLNLKPGECLKVRGEVAPDAKSFVLNLGKDSNNLCLHFNPRFDMHGDINTIVCNSKDGGAWGAEQRESAFPFQPGSVVEVCISFGQTDLTIKLPDGYEFSFPNRLNLEAIEHLAADGDFKIKCVAFE | Yes, this compound binds to the given protein target. The SMILES structure Cc1cccc(CCCOP(=O)(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)OCCCc2cccc(C)n2)n1 has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: OC(CCN1CCCCC1)(C1CCCCC1)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MEGDSYHNATTVNGTPVNHQPLERHRLWEVITIAAVTAVVSLITIVGNVLVMISFKVNSQLKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWALGSLACDLWLALDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLISFILWAPAILCWQYLVGKRTVPLDECQIQFLSEPTITFGTAIA... |
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: MDAMKRGLCCVLLLCGAVFVSPSQEIHARFRRGARSYQVICRDEKTQMIYQQHQSWLRPVLRSNRVEYCWCNSGRAQCHSVPVKSCSEPRCFNGGTCQQALYFSDFVCQCPEGFAGKCCEIDTRATCYEDQGISYRGTWSTAESGAECTNWNSSALAQKPYSGRRPDAIRLGLGNHNYCRNPDRDSKPWCYVFKAGKYSS... |
What is the biological target of this clinically approved 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: MEPPTVPSERSLSLSLPGPREGQATLKPPPQHLWRQPRTPIRIQQRGYSDSAERAERERQPHRPIERADAMDTSDRPGLRTTRMSWPSSFHGTGTGSGGAGGGSSRRFEAENGPTPSPGRSPLDSQASPGLVLHAGAATSQRRESFLYRSDSDYDMSPKTMSRNSSVTSEAHAEDLIVTPFAQVLASLRSVRSNFSLLTN... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | 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: MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECV... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MALSLYYDEDDDENENENKDKPNNDFKNQQQINTSKTTNNNNNINNKNNYNNKFNDDDIFNNDKIITKPRVTTTTTTTKNTSTNSNINKTKFNDDDIFDDEDEDSNSNKTTTTTTTTTTTTDTIITNDYRYQKTVPFSSFCDLMNRIINDTKISNKKNYLEKFMNHYKDEPNNFYQLLRLILPQLDKDRNSYGLKEKTLA... | 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: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MVSSVVEKTSVAHKETALILWFEEVGTHDVGLVGGKNSSLGEMIQQLTNKGVNVPSGFATTAYAYRYFIQEAGLEQKLRDLFTDLDVNDMANLQERGHLARQLILDTPFPQNLQTAIAEAYGAMCERYGQKMGRTGVDVAVRSSATAEDLPEASFAGQQETYLNVHSLSCVLESCHKCFASLFTDRAISYRHHNGFDHFA... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MMDVNSSGRPDLYGHLRSFLLPEVGRGLPDLSPDGGADPVAGSWAPHLLSEVTASPAPTWDAPPDNASGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMA... |
Identify the protein target for the following approved drug compound. | Drug SMILES: [Ag] | This approved drug compound targets the protein with sequence: MGKNKLLHPSLVLLLLVLLPTDASVSGKPQYMVLVPSLLHTETTEKGCVLLSYLNETVTVSASLESVRGNRSLFTDLEAENDVLHCVAFAVPKSSSNEEVMFLTVQVKGPTQEFKKRTTVMVKNEDSLVFVQTDKSIYKPGQTVKFRVVSMDENFHPLNELIPLVYIQDPKGNRIAQWQSFQLEGGLKQFSFPLSSEPFQ... |
Describe the drug-target relationship for the following approved small molecule. | 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: MGCIKSKGKDSLSDDGVDLKTQPVRNTERTIYVRDPTSNKQQRPVPESQLLPGQRFQTKDPEEQGDIVVALYPYDGIHPDDLSFKKGEKMKVLEEHGEWWKAKSLLTKKEGFIPSNYVAKLNTLETEEWFFKDITRKDAERQLLAPGNSAGAFLIRESETLKGSFSLSVRDFDPVHGDVIKHYKIRSLDNGGYYISPRIT... |
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: MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O | This approved drug compound targets the protein with sequence: MEAEGSSAPARAGSGEGSDSAGGATLKAPKHLWRHEQHHQYPLRQPQFRLLHPHHHLPPPPPPSPQPQPQCPLQPPPPPPLPPPPPPPGAARGRYASSGATGRVRHRGYSDTERYLYCRAMDRTSYAVETGHRPGLKKSRMSWPSSFQGLRRFDVDNGTSAGRSPLDPMTSPGSGLILQANFVHSQRRESFLYRSDSDYD... |
Does the following compound bind to the given protein target? | Compound SMILES: CN1C(=O)c2ccc(Br)cc2C2(CC(=O)N2)C1=O
Protein sequence: MSNPTLTFVTGNANKLREVQQIFSLTPNFPYELTNKDLDLPEIQGTTRDVAQAKCAAAAKALGGACITEDTALGFHALGGLPGPYIKDFMKTIGHDGLNKMLDGFEDRTASAICTFAYCAGPDEQVHLFEGRTEGVIVPPRGPTHFGWDPILEIKGTGLTYAEMDPKQKNTLSHRYKALTLLQDYLVGLSKQN | 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. |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(O)COc1ccc(CC2=C(n3ccc4ccccc43)c3ccccc3C(=O)C2=O)cc1
Protein sequence: MFNQSYLNVYFICGTSNVPSHRTIHEVLEAALKAGITLFQFREKGESALKGNDKLVLAKELQHLCHQYNVPFIVNDDVSLAKEINADGIHVGQDDAKVKEIAQYFTDKIIGLSISDLGEYAKSDLTHVDYIGVGPIYPTPSKHDAHTPVGPEMIATFKEMNPQLPIVAIGGINTSNVAPIVEAGANGISVISAISKSENI... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)COc1ccc(CC2=C(n3ccc4ccccc43)c3ccccc3C(=O)C2=O)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: MSMRSEYCGLVTEELLGQSVSLCGWVSRRRDHGGVIFIDLRDREGLVQVVCDPDRAEMFKAAEGVRNEFCLQIKGVVRARPEGTTNAALKSGKIEVLCHELIVLNPSITPPFQLDDDNLSETTRLTHRVLDLRRPQMQHNLRLRYRVAIEVRKYLDAQGFIDIETPMLTKSTPEGARDYLVPSRTNPGQFFALPQSPQLF... | 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: [Zn] | This approved drug compound targets the protein with sequence: MMMKIPWGSIPVLMLLLLLGLIDISQAQLSCTGPPAIPGIPGIPGTPGPDGQPGTPGIKGEKGLPGLAGDHGEFGEKGDPGIPGNPGKVGPKGPMGPKGGPGAPGAPGPKGESGDYKATQKIAFSATRTINVPLRRDQTIRFDHVITNMNNNYEPRSGKFTCKVPGLYYFTYHASSRGNLCVNLMRGRERAQKVVTFCDY... |
Identify the protein target for the following approved drug compound. | Drug SMILES: NC1=NC(=O)N(C=N1)[C@H]1C[C@H](O)[C@@H](CO)O1 | This approved drug compound targets the protein with sequence: MDLRVGQRPPVEPPPEPTLLALQRPQRLHHHLFLAGLQQQRSVEPMRLSMDTPMPELQVGPQEQELRQLLHKDKSKRSAVASSVVKQKLAEVILKKQQAALERTVHPNSPGIPYRTLEPLETEGATRSMLSSFLPPVPSLPSDPPEHFPLRKTVSEPNLKLRYKPKKSLERRKNPLLRKESAPPSLRRRPAETLGDSSPS... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CN\C(NCC1=CC=CC=C1)=N/C | This approved drug compound targets the protein with sequence: MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYANETCCDFFTNQAYA... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC(N)CC1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAII... |
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: MSLKHFLNTQDWSRAELDALLTQAALFKRNKLGSELKGKSIALVFFNPSMRTRTSFELGAFQLGGHAVVLQPGKDAWPIEFNLGTVMDGDTEEHIAEVARVLGRYVDLIGVRAFPKFVDWSKDREDQVLKSFAKYSPVPVINMETITHPCQELAHALALQEHFGTPDLRGKKYVLTWTYHPKPLNTAVANSALTIATRMG... | 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. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC(=O)OC1=CC=C(C=C1)C(C1=CC=C(OC(C)=O)C=C1)C1=CC=CC=N1 | This approved drug compound targets the protein with sequence: MGLWGKKGTVAPHDQSPRRRPKKGLIKKKMVKREKQKRNMEELKKEVVMDDHKLTLEELSTKYSVDLTKGHSHQRAKEILTRGGPNTVTPPPTTPEWVKFCKQLFGGFSLLLWTGAILCFVAYSIQIYFNEEPTKDNLYLSIVLSVVVIVTGCFSYYQEAKSSKIMESFKNMVPQQALVIRGGEKMQINVQEVVLGDLVE... |
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: MPEQNRILCRELSLLAFNRRVLAQAEDKNVPLLERLRFLCIVSSNLDEFFEVRMAWLKRENKLHPRRRLDNGKMPSETIADVTEAARSLIRHQYDLFNNVLQPELARESIHFYRRRNWTGAQKKWIEDYFDRELLPILTPIGLDPSHPFPRPLNKSLNFAVELDGTDAFGRPSGMAIVQAPRILPRVVPLPSELCGGGHG... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: COc1cc2c(cc1OC)[C@H]1C[C@@](O)(C(C)(C)C)[C@H](CC(C)C)CN1CC2
Protein sequence: MFHPIEEALEALKKGEVIIVVDDEDRENEGDFVALAEHATPEVVNFMATHGRGLICTPLSEDIAGRLDLHPMVDHNTDSHETAFTVSIDHRLTKTGISAQERSFTIQALLNEESVSDDFQRPGHIFPLIAKKGGVLKRAGHTEAAVDLAKACGSQGAGVICEIMNEDGTMARVPELAEIAERHQLKMITIKDLIEYRYNI... | Yes, this compound binds to the given protein target. The SMILES structure COc1cc2c(cc1OC)[C@H]1C[C@@](O)(C(C)(C)C)[C@H](CC(C)C)CN1CC2 has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MKQLVLASGNAGKLEELRAMLAGLPLRVVAQGELGVEDVPETGLTFVENALIKARHASAVTGLPALADDSGLIVDALDGAPGLYSARYAGSPTNALANNAKLLDAMREVPSDRRSARFYAVIVLLRHPEDPQPLIAEGSWEGVITTQPRGDGGFGYNPVFLDPVYGLTAAEMDTALKNRLSHRAVALATLQHKLHAMSL | 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: [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(=O)C1=CNC3=CC=CC=C13)N2C | This approved drug compound targets the protein with sequence: MLLWVQQALLALLLPTLLAQGEARRSRNTTRPALLRLSDYLLTNYRKGVRPVRDWRKPTTVSIDVIVYAILNVDEKNQVLTTYIWYRQYWTDEFLQWNPEDFDNITKLSIPTDSIWVPDILINEFVDVGKSPNIPYVYIRHQGEVQNYKPLQVVTACSLDIYNFPFDVQNCSLTFTSWLHTIQDINISLWRLPEKVKSDR... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: C=C(Cn1cnc2ccccc2c1=O)C(=O)c1ccc(Cl)cc1
Protein sequence: MTHFIFVTGGVVSSLGKGISAASVAALLEARGLKVTMVKMDPYINVDPGTMSPFQHGEVFVTEDGAETDLDLGYYERFLRRAKMTKLNNFTSGRVYQDVLNKERRGDYLGGTVQVIPHITDNIKERVLRAGEGYDVAIVEIGGTVGDIESLPFMESVRQLMVELGHKRTMLMHLTLLPYIKSAAELKTKPTQHSVKELLS... | Yes, this compound binds to the given protein target. The SMILES structure C=C(Cn1cnc2ccccc2c1=O)C(=O)c1ccc(Cl)cc1 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O | This approved drug compound targets the protein with sequence: MAFDSTWKVDRSENYDKFMEKMGVNIVKRKLAAHDNLKLTITQEGNKFTVKESSAFRNIEVVFELGVTFNYNLADGTELRGTWSLEGNKLIGKFKRTDNGNELNTVREIIGDELVQTYVYEGVEAKRIFKKD |
What is the biological target of this clinically approved compound? | Drug SMILES: COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MSESEGGKDTTPEPSPANGAGPGPEWGLCPGPPAVEGESSGASGLGTPKRRNQHSKHKTVAVASAQRSPRALFCLTLANPLRRSCISIVEWKPFDILILLTIFANCVALGVYIPFPEDDSNTANHNLEQVEYVFLVIFTVETVLKIVAYGLVLHPSAYIRNGWNLLDFIIVVVGLFSVLLEQGPGRPGDAPHTGGKPGGF... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: O=C(CBr)Nc1ccc(-c2ccc(C(=O)O)cc2)cc1
Protein sequence: MASSTHVPIAAIATAPGRGGIGVVRISGPDLSALARRLFGRELTPRHAHYLPFTAETGEHLDEGIALYFRAPQSYTGEDVLELQGHGGPAVLRRILERCLQAGADLGVRLAEPGEFTRRAFLNDRMDLAQAEAVADLIDASSVAAARGAMASLSGEFSARVNALSDRIVHLRMLVEATLDFPEEEIDFLEKYQARPTLQA... | Yes, this compound binds to the given protein target. The SMILES structure O=C(CBr)Nc1ccc(-c2ccc(C(=O)O)cc2)cc1 has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MANFLLPRGTSSFRRFTRESLAAIEKRMAEKQARGSTTLQESREGLPEEEAPRPQLDLQASKKLPDLYGNPPQELIGEPLEDLDPFYSTQKTFIVLNKGKTIFRFSATNALYVLSPFHPIRRAAVKILVHSLFNMLIMCTILTNCVFMAQHDPPPWTKYVEYTFTAIYTFESLVKILARGFCLHAFTFLRDPWNWLDFSV... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MTTLTPLRSVTVNNTYPYTIAIGPGLLHDPLRLAATIRGRHALILSDSEVAPRYAAQLQETLLRARPDLHLNVFTLPAGETSKSLENFSAAIAQLATLGATRDACLFALGGGVIGDLAGFTAACWMRGIDYVQVPTTLLAMVDSSVGGKTAVDIPQGKNMVGAFHPPRAVIADTDTLATLPLRELRAGLSEVIKYGAIRD... | Yes, this compound binds to the given protein target. The SMILES structure COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: [177Lu+3].C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O | This approved drug compound targets the protein with sequence: MDMADEPLNGSHTWLSIPFDLNGSVVSTNTSNQTEPYYDLTSNAVLTFIYFVVCIIGLCGNTLVIYVILRYAKMKTITNIYILNLAIADELFMLGLPFLAMQVALVHWPFGKAICRVVMTVDGINQFTSIFCLTVMSIDRYLAVVHPIKSAKWRRPRTAKMITMAVWGVSLLVILPIMIYAGLRSNQWGRSSCTINWPGE... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C | This approved drug compound targets the protein with sequence: MGCAPSIHVSQSGVIYCRDSDESSSPRQTTSVSQGPAAPLPGLFVQTDAADAIPPSRASGPPSVARVRRARTELGSGSSAGSAAPAATTSRGRRRHCCSSAEAETQTCYTSVKQVSSAEVRIGPMRLTQDPIQVLLIFAKEDSQSDGFWWACDRAGYRCNIARTPESALECFLDKHHEIIVIDHRQTQNFDAEAVCRSIR... |
What is the biological target of this clinically approved compound? | Drug SMILES: O=S(=O)([O-])[O-].[Zn+2] | This approved drug compound targets the protein with sequence: MKPNIIFVLSLLLILEKQAAVMGQKGGSKGRLPSEFSQFPHGQKGQHYSGQKGKQQTESKGSFSIQYTYHVDANDHDQSRKSQQYDLNALHKTTKSQRHLGGSQQLLHNKQEGRDHDKSKGHFHRVVIHHKGGKAHRGTQNPSQDQGNSPSGKGISSQYSNTEERLWVHGLSKEQTSVSGAQKGRKQGGSQSSYVLQTEE... |
Identify the protein target for the following approved drug compound. | Drug SMILES: [Zn++].CC([O-])=O.CC([O-])=O | This approved drug compound targets the protein with sequence: MLLGQLSTLLCLLSGALPTGSGRPEPQSPRPQSWAAANQTWALGPGALPPLVPASALGSWKAFLGLQKARQLGMGRLQRGQDEVAAVTLPLNPQEVIQGMCKAVPFVQVFSRPGCSAIRLRNHLCFGHCSSLYIPGSDPTPLVLCNSCMPARKRWAPVVLWCLTGSSASRRRVKISTMLIEGCHCSPKA |
Identify the protein target for the following approved drug compound. | Drug SMILES: CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(... | This approved drug compound targets the protein with sequence: MKHIINSYENINNTARNNSDCPRVVLPEEIFFTISIVGVLENLIVLLAVFKNKNLQAPMYFFICSLAISDMLGSLYKILENILIILRNMGYLKPRGSFETTADDIIDSLFVLSLLGSIFSLSVIAADRYITIFHALRYHSIVTMRRTVVVLTVIWTFCTGTGITMVIFSHHVPTVITFTSLFPLMLVFILCLYVHMFLLA... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]1(C)CCC2=C(C)C(OC(=O)CCC(O)=O)=C(C)C(C)=C2O1 | This approved drug compound targets the protein with sequence: MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATGYHFNVMTCEGCKGFFRRAMKRNARLRCPFRKGACEITRKTRRQCQACRLRKCLESGMKKEMIMSDEAVEERRALIKRKKSERTGTQPLGVQGLTEEQRMMIRELMDAQMKTFDTTFSHFKNFRLPGVLSSGCELPESLQAPSREEAAKWS... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: FC(F)OC(F)C(F)(F)F | This approved drug compound targets the protein with sequence: MAPKLLLLLCLFSGLHARSRKVEEDEYEDSSSNQKWVLAPKSQDTDVTLILNKLLREYDKKLRPDIGIKPTVIDVDIYVNSIGPVSSINMEYQIDIFFAQTWTDSRLRFNSTMKILTLNSNMVGLIWIPDTIFRNSKTAEAHWITTPNQLLRIWNDGKILYTLRLTINAECQLQLHNFPMDEHSCPLIFSSYGYPKEEMI... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O | This approved drug compound targets the protein with sequence: MAAPCLLRQGRAGALKTMLQEAQVFRGLASTVSLSAESGKSEKGQPQNSKKQSPPKKPAPVPAEPFDNTTYKNLQHHDYSTYTFLDLNLELSKFRMPQPSSGRESPRH |
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: MFFLCLVCLSVSHKMIGICYLLVAILCGFIGYIYSLFIRLELSLIGCGVLFGDYQFYNVLITSHGLIMVFAFIMPITMGGFTNYFAPVMVGFPDMVFPRINNMSFWMFIGGFGCLVSGFLTEEGMGVGWTLYPTLICIDFHSSLACDFIIFSVHFLGISSILNSINVVGTIFCCRRKYFSFLIWTLFIWGALLTSILLII... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CNCC[S+]([O-])CP(=O)(O)O has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MKALSKLKAEEGIWMTDVPQPELGHNDIMIKIRKTAICGTDVHIYNWDEWSQKTIPVPMVVGHEYVGEVVAIGQEVKGFTVGDRVSGEGHITCGHCRNCRGGRTHLCRNTTGVGVNRPGSFAEYLVIPAFNAFKIPDNISDELASIFDPFGNAVHTALSFDLVGEDVLVSGAGPIGIMAAAVCKHVGARHVVITDVNEYR... | Yes, this compound binds to the given protein target. The SMILES structure COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: COc1cccc2[nH]c(C(=O)NCCCCCCC(=O)NO)cc12
Protein sequence: MSRPQRISVLGATGSIGLSTLDVVQRHPDRYEAFALTGFSRLAELEALCLRHRPVYAVVPEQAAAIALQGSLAAAGIRTRVLFGEQALCEVASAPEVDMVMAAIVGAAGLPSTLAAVEAGKRVLLANKEALVMSGALFMQAVKRSGAVLLPIDSEHNAIFQSLPRNYADGLERVGVRRILLTASGGPFRETPLEQLASVT... | Yes, this compound binds to the given protein target. The SMILES structure COc1cccc2[nH]c(C(=O)NCCCCCCC(=O)NO)cc12 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CN(C)C(=N)NC(N)=N | This approved drug compound targets the protein with sequence: MGNTSSERAALERHGGHKTPRRDSSGGTKDGDRPKILMDSPEDADLFHSEEIKAPEKEEFLAWQHDLEVNDKAPAQARPTVFRWTGGGKEVYLSGSFNNWSKLPLTRSHNNFVAILDLPEGEHQYKFFVDGQWTHDPSEPIVTSQLGTVNNIIQVKKTDFEVFDALMVDSQKCSDVSELSSSPPGPYHQEPYVCKPEERF... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MLVIEDVRAYEVLDSRGNPTVKAEVTLSDGSVGAAIVPSGASTGSKEALELRDNDERFGGKGVLKAVANVNETIADEILGLDAFNQTQLDDTLRELDGTNNYSNLGANATLGVSMATARAAAAALGMPLYRYLGGANASILPVPMCNIINGGAHANNNVDFQEFMIMPFGFTSFKEALRSVCEIYAILKKELANSGHSTA... | 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: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MIKNIGVDQIEVDRIAKVVDRGDGFARKVLTDREFAQYQDLTHKRKIEYLGGRFAIKEAFSKAWGTGIGQAVSFEDVETLRTESGAPVTTSRIFTGRIFSSIAHDDHEIVAVVVLEEPAGWRRAIGKLSHLLSGRKK | 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: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MVFSVAKKDTTPYEGQKPGTSGLRKKVTVFQQPHYLANFVQSTFNALPAEEVKGATIVVSGDGRYFSKDAVQIIAKMAAANGVRRVWVGQGSLLSTPAVSAIIRERIAADGSKATGGFILTASHNPGGPTEDFGIKYNMGNGGPAPESVTDKIFSNTKTISEYLIAEDLPDVDISVIGVTTFTGPEGPFDVDVFDSATEY... | 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: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MRKINIFDTTLRDGEQSAGINLNLQEKLEIARQLERLGVDIIEAGFPASSKGDFQAVKQIAETIKTCSVTGLARSVQSDIDAAWEALKGGAEPRLHLFIATSPIHMKYKLQMTPEQVIETAVESVKYAKRYFPIVQWSAEDACRSELPFLAKIITEVIKAGATVINIPDTVGYITPKEYGNIFTFLSNNVPNIEKVSLSA... | Yes, this compound binds to the given protein target. The SMILES structure Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: CCCCOC1=CC=C(OCCCN2CCOCC2)C=C1 | This approved drug compound targets the protein with sequence: MAMLPPPGPQSFVHFTKQSLALIEQRIAERKSKEPKEEKKDDDEEAPKPSSDLEAGKQLPFIYGDIPPGMVSEPLEDLDPYYADKKTFIVLNKGKTIFRFNATPALYMLSPFSPLRRISIKILVHSLFSMLIMCTILTNCIFMTMNNPPDWTKNVEYTFTGIYTFESLVKILARGFCVGEFTFLRDPWNWLDFVVIVFAY... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CCC[C@H]1CN([C@@H](CC)C(N)=O)C(=O)C1 | This approved drug compound targets the protein with sequence: MAARLLAPPGPDSFKPFTPESLANIERRIAESKLKKPPKADGSHREDDEDSKPKPNSDLEAGKSLPFIYGDIPQGLVAVPLEDFDPYYLTQKTFVVLNRGKTLFRFSATPALYILSPFNLIRRIAIKILIHSVFSMIIMCTILTNCVFMTFSNPPDWSKNVEYTFTGIYTFESLVKIIARGFCIDGFTFLRDPWNWLDFS... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(O)n2)cc1
Protein sequence: MKHLAVLGSTGSIGRQTLEIVRRYPSEFKIISMASYGNNLRLFFQQLEEFAPLAAAVYNEEVYNEACQRFPHMQFFLGQEGLTQLCIMDTVTTVVAASSGIEALPAILESMKKGKALALANKEILVCAGELVSKTAKENGIKVLPIDSEHNALYQCLEGRTIEGIKKLILTASGGPLLNKSLEELSCVTKQDVLNHPIWN... | Yes, this compound binds to the given protein target. The SMILES structure COc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(O)n2)cc1 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MKFKLHVNSARQYKDLWNMSDDKPFLCTAPGCGQRFTNEDHLAVHKHKHEMTLKFGPARNDSVIVADQTPTPTRFLKNCEEVGLFNELASPFENEFKKASEDDIKKMPLDLSPLATPIIRSKIEEPSVVETTHQDSPLPHPESTTSDEKEVPLAQTAQPTSAIVRPASLQVPNVLLTSSDSSVIIQQAVPSPTSSTVITQ... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: C=CC[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
Protein sequence: MSNASLSWLTKLNTSETPDKVLRRSSIIGTIGPKTNNVDVLVKLRKAGLNIVRMNFSHGSYEYHQSVIDNAKQSEEIYKGRPLAIALDTKGPEIRTGTTIDDKDYPILPNHEMIFTTDEAYAKKCDDKVMFIDYKNITKVIEAGKIIYIDDGVVSFEVLQIVDDKTLKVRSVNSGKIC... | Yes, this compound binds to the given protein target. The SMILES structure C=CC[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1 has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H][C@@]12CC[C@@](O)(CC#N)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H] | This approved drug compound targets the protein with sequence: MTELKAKGPRAPHVAGGPPSPEVGSPLLCRPAAGPFPGSQTSDTLPEVSAIPISLDGLLFPRPCQGQDPSDEKTQDQQSLSDVEGAYSRAEATRGAGGSSSSPPEKDSGLLDSVLDTLLAPSGPGQSQPSPPACEVTSSWCLFGPELPEDPPAAPATQRVLSPLMSRSGCKVGDSSGTAAAHKVLPRGLSPARQLLLPAS... |
What is the biological target of this clinically approved compound? | Drug SMILES: OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1 | This approved drug compound targets the protein with sequence: MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRSNLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRFLLRRKFIPDPQGTNLMFAFF... |
Does the following compound bind to the given protein target? | Compound SMILES: CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(CN)C3)nc21
Protein sequence: MAIAPRGRFAPTPSGDLHLGSLVAAVGSYLHVRSQCGTWLLRIDDLDAPRVVPGASDRIQTCLEAFGLHWDEVVYFQQPQQEHYQAALEQLTATGRVYRCQCSRKQLSQSGDSVSVDGSLRYPGFCRDRQLSSEIEGSDRLNVQNLPAIALEDAWQGRYQQDLAQAVGDFILRRRDRLFSYHLATVVDDARQGITEVIRG... | Yes, this compound binds to the given protein target. The SMILES structure CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(CN)C3)nc21 has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MEFPIGSLETNNFRRFTPESLVEIEKQIAAKQGTKKAREKHREQKDQEEKPRPQLDLKACNQLPKFYGELPAELIGEPLEDLDPFYSTHRTFMVLNKGRTISRFSATRALWLFSPFNLIRRTAIKVSVHSWFSLFITVTILVNCVCMTRTDLPEKIEYVFTVIYTFEALIKILARGFCLNEFTYLRDPWNWLDFSVITLA... |
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: MTNNLSGYRNKIVRVKTSKKRPISSSNWLRRQLNDPYVAKARLEGFRSRAAYKLLEIHYKFRLFTPNMKIVDLGAAPGGWSQVASKLIKASDNNLNNKIISIDLLEIEPIVGVEFLQKDFFEKDTEELIIHNLEGKADIVMSDMASNTIGHKATDHMRTLLLCEQAFEFALKVLKPSCHFIAKIFRGGAETALLNKVKRE... | 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: CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCC1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MSMNNSKQLVSPAAALLSNTTCQTENRLSVFFSVIFMTVGILSNSLAIAILMKAYQRFRQKSKASFLLLASGLVITDFFGHLINGAIAVFVYASDKEWIRFDQSNVLCSIFGICMVFSGLCPLLLGSVMAIERCIGVTKPIFHSTKITSKHVKMMLSGVCLFAVFIALLPILGHRDYKIQASRTWCFYNTEDIKDWEDRF... |
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: MSAEVETSEGVDESEKKNSGALEKENQMRMADLSELLKEGTKEAHDRAENTQFVKDFLKGNIKKELFKLATTALYFTYSALEEEMERNKDHPAFAPLYFPMELHRKEALTKDMEYFFGENWEEQVQCPKAAQKYVERIHYIGQNEPELLVAHAYTRYMGDLSGGQVLKKVAQRALKLPSTGEGTQFYLFENVDNAQQFKQ... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MEVTAHYIGGKPFVGDTGESFATLNPATGEVLAHIEQADERVLAHAIESAKLGFSVWSSMSAAERSRCLLKAAQLIRDHNDELAELEVRDTGKPIQEASVVDIATGADVIEYFAGLVNGLGGEQQSLGSNQFFYTRREPLGICAGIGAWNYPIQIAMWKAAPALAAGNAMIFKPSEETPLSALKLAELFTQAGVPDGVFN... | 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: NCC(O)=O | This approved drug compound targets the protein with sequence: MAAQKDLWDAIVIGAGIQGCFTAYHLAKHRKRILLLEQFFLPHSRGSSHGQSRIIRKAYLEDFYTRMMHECYQIWAQLEHEAGTQLHRQTGLLLLGMKENQELKTIQANLSRQRVEHQCLSSEELKQRFPNIRLPRGEVGLLDNSGGVIYAYKALRALQDAIRQLGGIVRDGEKVVEINPGLLVTVKTTSRSYQAKSLVI... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 | This approved drug compound targets the protein with sequence: MESRGPLATSRLLLLLLLLLLRHTRQGWALRPVLPTQSAHDPPAVHLSNGPGQEPIAVMTFDLTKITKTSSSFEVRTWDPEGVIFYGDTNPKDDWFMLGLRDGRPEIQLHNHWAQLTVGAGPRLDDGRWHQVEVKMEGDSVLLEVDGEEVLRLRQVSGPLTSKRHPIMRIALGGLLFPASNLRLPLVPALDGCLRRDSWL... |
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: MERTFLMIKPDGVQRNLVGEIIQRFETKGFTLVGLKMMQVSSELAEKHYAVHKERPFFRSLVDFITSSPVVAMVWQGEGVIASARKIIGATNPLNAEPGTIRGDFGISVGRNLIHGSDGPDTAKDEVSLWFSDAELANWTPAITPWVVE | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O
Protein sequence: MSGLLCYCRQGFEPELAAELSARAAFVGIAGYARTQRNDGYVLFVCDEAAQLAAKLQWRELIFARQKLVVIAELKGIDPKDRITPILAALEGQQRFGDLWVEHPDSDAGKPLASLARSFGNALRPALRKAGLLTDKPQPRQPRLHICFLDGDHALLAVADSADSAPWPLGIPRLKLLPEAPSRSALKLDEALLTLLTPEE... | 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: CN1CCCC(CC2C3=CC=CC=C3SC3=CC=CC=C23)C1 | This approved drug compound targets the protein with sequence: MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVI... |
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: MGNKQTIFTEEQLDNYQDCTFFNKKDILKLHARFYELAPNLVPMDYRKSPIVHVPMSLIIQMPELRENPFKERIVEAFSEDGEGNLTFNDFVDMFSVLCESAPRELKANYAFKIYDFNTDNFICKEDLEMTLARLTKSELEEDEVVLVCDKVIEEADLDGDGKLGFADFEDMIAKAPDFLSTFHIRI | 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: MTPDPASALQHRKRRHIDVCLTDPVDYQTLTTGFERYQLPYNALTQTDLHSVDLGTEFMGSRLRAPVLIGAMTGGAALSGIINRNLAEAAQQLGVGMMLGSQRVMIDDAVAAESFDVRGVAPDVLVIGNIGLAQLQPSMVPALAAALDRVGANGLAVHTNPLQEAMQHNGDTDFSGSMSRLREVVDSLGYPVMLKEVGHG... | 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: N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O | This approved drug compound targets the protein with sequence: MEQKPSKVECGSDPEENSARSPDGKRKRKNGQCSLKTSMSGYIPSYLDKDEQCVVCGDKATGYHYRCITCEGCKGFFRRTIQKNLHPTYSCKYDSCCVIDKITRNQCQLCRFKKCIAVGMAMDLVLDDSKRVAKRKLIEQNRERRRKEEMIRSLQQRPEPTPEEWDLIHIATEAHRSTNAQGSHWKQRRKFLPDDIGQSP... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MVTTNAPSLRIAVLGAGSWGTALAAAASRRHPTLLWARGAAQAASLSIERENTRYLPGVALPAALRFSADLDQALDFLGTDPDQALIILGVPVAGMSSIMAELALRLPLRGMIRTPIVWTCKGFETDSARLPHEIVHASVGELAGMACGVLSGPSFAREVAQGLPVALTVASRHERVIRAVTAALHGAAVRVYASQDVPG... | 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: O=c1cc(N2CCOCC2)oc2c(-c3ccc(CO)cc3)cccc12
Protein sequence: MSTTFQTPSRLPTVSAWDQFCEWITSTHNRLYVGWFGLLMIPSLFVSAITFMLAWVAAPSVDMEGIREPIISSLLGGSNVITAAVIPTSAAIGLHLYPLWEATSMDEWLYNGGPYQLIILHFLIAIWTYLGRQWELSYRLGMRPWIAMAFSAPVAAATAVLLVYPMGQGSFSEGLPLGISGTFHFMMAVQAEHNILMHPF... | Yes, this compound binds to the given protein target. The SMILES structure O=c1cc(N2CCOCC2)oc2c(-c3ccc(CO)cc3)cccc12 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: MDSQSNQTPWASASVTCLSLDAKRHSQCLDDAIKSGHQVNYSPARSLRYIAYTQRCGIRLTMLMLIMCLTFMPAHSCGPGRGLGRRRVQNLYPLVLKQTVPNLSEHQLGASGPLEGEIPRDSPKFKDLVPNYNRDIVFKDEEGTGADRLMTKRCREKLNALAYSVMNEWPGVRLLVIESWDEDHDHGQESLHYEGRAVTI... | 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: 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: MAGDLSAGFFMEELNTYRQKQGVVLKYQELPNSGPPHDRRFTFQVIIDGREFPEGEGRSKKEAKNAAAKLAVEILNKEKKAVSPLLLTTTNSSEGLSMGNYIGLINRIAQKKRLTVNYEQCASGVHGPEGFHYKCKMGQKEYSIGTGSTKQEAKQLAAKLAYLQILSEETSVKSDYLSSGSFATTCESQSNSLVTSTLAS... |
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