instruction stringclasses 8
values | input stringlengths 16 761 | output stringlengths 112 280 |
|---|---|---|
Analyze the binding relationship between the following compound and protein. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MIVSQYLSALTFVLLLFKESRTWSYHASTEMMTFEEARDYCQKTYTALVAIQNQEEIEYLNSTFSYSPSYYWIGIRKINGTWTWIGTNKSLTKEATNWAPGEPNNKQSDEDCVEIYIKREKDSGKWNDEKCTKQKLALCYKAACNPTPCGSHGECVETINNYTCQCHPGFKGLKCEQVVTCPAQKHPEHGHLVCNPLGKF... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CNCC[S+]([O-])CP(=O)(O)O has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: O=C(CN1CCCCC1)N1CCc2c(nc(O)c3ccccc23)C1
Protein sequence: MRISIFGLGYVGAVCAGCLSARGHEVVGVDISSTKIDLINNGKSPIVEPGLEELLQKGISTGKLRGTTDFAEAIRATDLSMICVGTPSKKNGDLELDYIESVCREIGYVLRDKATRHTIVVRSTVLPGTVANVVIPILEDCSGKKAGVDFGVAVNPEFLRESTAIKDYDLPPMTVIGEFDKASGDVLQSLYEELDAPIIR... | Yes, this compound binds to the given protein target. The SMILES structure O=C(CN1CCCCC1)N1CCc2c(nc(O)c3ccccc23)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: MAIQTSNLGYPRIGLQREWKKTLEAFWSNKINEEQFLTTMKEIRLQHVKVQQEKGIELIPIGDFTYYDHVLDTAYMLGFIPSRFSEFTSYLDVYFAMARGSKDHVASEMTKWFNTNYHYIVPEYEEGLQISLKDNRPLRLYEEAKQELGVDGKPVILGPYTFLKLAKGYTQEQFATILKQLVAPYVQLLSELHAAGAQII... | 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. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: OC(=O)CCCC[C@@H]1CCSS1 | This approved drug compound targets the protein with sequence: MSLRCGDAARTLGPRVFGRYFCSPVRPLSSLPDKKKELLQNGPDLQDFVSGDLADRSTWDEYKGNLKRQKGERLRLPPWLKTEIPMGKNYNKLKNTLRNLNLHTVCEEARCPNIGECWGGGEYATATATIMLMGDTCTRGCRFCSVKTARNPPPLDASEPYNTAKAIAEWGLDYVVLTSVDRDDMPDGGAEHIAKTVSYL... |
Identify the protein target for the following approved drug compound. | Drug SMILES: FCOC(C(F)(F)F)C(F)(F)F | This approved drug compound targets the protein with sequence: MWRVRKRGYFGIWSFPLIIAAVCAQSVNDPSNMSLVKETVDRLLKGYDIRLRPDFGGPPVAVGMNIDIASIDMVSEVNMDYTLTMYFQQAWRDKRLSYNVIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWRGDDNAVT... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CC(C(=O)NO)N(Cc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O
Protein sequence: MNNSEIININGPFKGEIEVPGDKSMTHRAIMLASLAKGISTIYEPLMGEDCRRTMDIFKLLGVTIEEQDNSIIINSPGYQNFITPHQVLYTGNSGTTTRLLAGLLSGLGIESVLSGDVSIGKRPMDRVMKPLLKMNANISGIDNNYTPLIIKPSTIKGINYQMEVASAQVKSAILLASLFSKEATTLTEFDVSRNHTETL... | Yes, this compound binds to the given protein target. The SMILES structure CC(C(=O)NO)N(Cc1ccc([N+](=O)[O-])cc1)S(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: CC1NCCOC1C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MLLARMNPQVQPENNGADTGPEQPLRARKTAELLVVKERNGVQCLLAPRDGDAQPRETWGKKIDFLLSVVGFAVDLANVWRFPYLCYKNGGGAFLIPYTLFLIIAGMPLFYMELALGQYNREGAATVWKICPFFKGVGYAVILIALYVGFYYNVIIAWSLYYLFSSFTLNLPWTDCGHTWNSPNCTDPKLLNGSVLGNHT... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MVCSSFIRSFIVQAGCRIGVLAQGRHQFIHIKKTLSVGFGFRTSVIGFRTTSGIGFRTSAKMMVDTSAGEKRISLVDMPPEKVDDGGYIGGGWKNDDGSLSCGYCSFRGKRSTMEDFYDIKASTIEGQAVCMFGIFDGHGGSRAAEYLKEHLFNNLMKHPQFLTDTKLALNETYKQTDVAFLESEKDTYRDDGSTASAAV... | 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. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCCCCCOC(=O)\N=C(\N)C1=CC=C(NCC2=NC3=C(C=CC(=C3)C(=O)N(CCC(=O)OCC)C3=NC=CC=C3)N2C)C=C1 | This approved drug compound targets the protein with sequence: MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSE... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: COc1cc2c(cc1OCCCN1CCOCC1)N=C[C@@H]1CCCN1C2=O
Protein sequence: MASESGKLWGGRFVGTVDPIMEKFNSSITYDRHLWEADVQGSKAYSRGLEKAGLLTKAEMDQILHGLDKVAEEWAQGTFKLNPNDEDIHTANERRLKELIGETAGKLHTGRSRNDQVVTDLRLWMRQNCSMLSALLCELIRTMVDRAEAERDVLFPGYTHLQRAQPIRWSHWILSHAVALTRDSERLLEVRKRINVLPLG... | Yes, this compound binds to the given protein target. The SMILES structure COc1cc2c(cc1OCCCN1CCOCC1)N=C[C@@H]1CCCN1C2=O has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=c1cc(N2CCOCC2)oc2c(-c3ccc(CO)cc3)cccc12
Protein sequence: MKTLYSLRRFYPVETLFNGTLALAGRDQETTGFAWWAGNARLINLSGKLLGAHVAHAGLIVFWAGAMNLFEVAHFVPEKPMYEQGLILLPHLATLGWGVGPGGEVIDTFPYFVSGVLHLISSAVLGFGGIYHALLGPETLEESFPFFGYVWKDRNKMTTILGIHLILLGLGAFLLVFKALYFGGVYDTWAPGGGDVRKIT... | 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. |
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: MKRTHLFIVGIYFLSSCRAEEGLNFPTYDGKDRVVSLSEKNFKQVLKKYDLLCLYYHEPVSSDKVTQKQFQLKEIVLELVAQVLEHKAIGFVMVDAKKEAKLAKKLGFDEEGSLYILKGDRTIEFDGEFAADVLVEFLLDLIEDPVEIISSKLEVQAFERIEDYIKLIGFFKSEDSEYYKAFEEAAEHFQPYIKFFATFD... |
What is the biological target of this clinically approved compound? | Drug SMILES: NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C1CC2CC1C=C2 | This approved drug compound targets the protein with sequence: MAPLCPSPWLPLLIPAPAPGLTVQLLLSLLLLVPVHPQRLPRMQEDSPLGGGSSGEDDPLGEEDLPSEEDSPREEDPPGEEDLPGEEDLPGEEDLPEVKPKSEEEGSLKLEDLPTVEAPGDPQEPQNNAHRDKEGDDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFCPALRPLELLGFQLPPLPELRLRNNGH... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] | This approved drug compound targets the protein with sequence: MTELKAKGPRAPHVAGGPPSPEVGSPLLCRPAAGPFPGSQTSDTLPEVSAIPISLDGLLFPRPCQGQDPSDEKTQDQQSLSDVEGAYSRAEATRGAGGSSSSPPEKDSGLLDSVLDTLLAPSGPGQSQPSPPACEVTSSWCLFGPELPEDPPAAPATQRVLSPLMSRSGCKVGDSSGTAAAHKVLPRGLSPARQLLLPAS... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=C(O)Cc1cccc2c1Cc1c-2nc(O)c2nc(-c3ccc(C(=O)O)cc3)cn12
Protein sequence: MVTYLLANFGGPRTSQEIVSFLQALLTDRDVTGGMIPSMLHRPLFSYIAKRRAPHVARQYAYLGGGSPIFQDTERLAQNLSQELQASVIPFHRYLPETHRETLQALQESQGSIVGIPLFPHYTFAVTGSIIRFFLQHLPEKPISWITQFGVHPEFVSCMQQHIRDCLAAQQIAVEDCYFLFSVHGLPQRHIRLGDPYAQQ... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)Cc1cccc2c1Cc1c-2nc(O)c2nc(-c3ccc(C(=O)O)cc3)cn12 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: CC1=NS(=O)(=O)C2=C(N1)C=CC(Cl)=C2 | This approved drug compound targets the protein with sequence: MLSRKGIIPEEYVLTRLAEDPAKPRYRARQRRARFVSKKGNCNVAHKNIREQGRFLQDVFTTLVDLKWPHTLLIFTMSFLCSWLLFAMAWWLIAFAHGDLAPSEGTAEPCVTSIHSFSSAFLFSIEVQVTIGFGGRMVTEECPLAILILIVQNIVGLMINAIMLGCIFMKTAQAHRRAETLIFSKHAVIALRHGRLCFML... |
Identify the protein target for the following approved drug compound. | Drug SMILES: [H]N[C@H](CCCCN)C(O)=O.[H]N[C@H](CCCCNC(=O)C(NC(=O)CC1=CC=CC=C1)[C@]1([H])N[C@@H](C(O)=O)C(C)(C)S1)C(O)=O | This approved drug compound targets the protein with sequence: MIPAVVLLLLLLVEQAAALGEPQLCYILDAILFLYGIVLTLLYCRLKIQVRKAAITSYEKSDGVYTGLSTRNQETYETLKHEKPPQ |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: O=CCC(CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1
Protein sequence: MAGCGEIDHSVNMLPTNRKANESCANPAPSLTVPECAICLQTCVHPVSLPCKHVFCYLCVKGASWLGKRCALCRQEIPEDFLDKPTLLSPEELKAASRGNGEYAWYYEGRNGWWQYDERTSRELEDAFSKGKKSTEMLIAGFLYVADLENMVQYRRNEHGRRRKIKRDIIDIPKKGVAGLRLDCEANTVNLARESSADGA... | Yes, this compound binds to the given protein target. The SMILES structure O=CCC(CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 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: MRTLWIMAVLLLGVEGGLWQFENMIMKVAKKSGILSYSAYGCYCGWGGRGTPKDATDRCCFVHDCCYGKVTGCNPKLGKYTYISENGDIICGGDGPCKEVCECDRAAAICFRDNLDTYDRKTYWKYPASNCQEDSEPC | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CNCC[S+]([O-])CP(=O)(O)O has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1 | This approved drug compound targets the protein with sequence: MGLFDRGVQMLLTTVGAFAAFSLMTIAVGTDYWLYSRGVCKTKSVSENETSKKNEEVMTHSGLWRTCCLEGNFKGLCKQIDHFPEDADYEADTAEYFLRAVRASSIFPILSVILLFMGGLCIAASEFYKTRHNIILSAGIFFVSAGLSNIIGIIVYISANAGDPSKSDSKKNSYSYGWSFYFGALSFIIAEMVGVLAVHM... |
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: MEQTEVLKPRTLADLIRILHQLFAGDEVNVEEVQAIMEAYESDPTEWAMYAKFDQYRYTRNLVDQGNGKFNLMILCWGEGHGSSIHDHTNSHCFLKMLQGNLKETLFAWPDKKSNEMVKKSERVLRENQCAYINDSIGLHRVENISHTEPAVSLHLYSPPFDTCHAFDQRTGHKNKVTMTFHSKFGIRTPNATSGSLENN |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: COC1=C(C=C2C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC=NC2=C1)C(N)=O | This approved drug compound targets the protein with sequence: MRLLLALLGVLLSVPGPPVLSLEASEEVELEPCLAPSLEQQEQELTVALGQPVRLCCGRAERGGHWYKEGSRLAPAGRVRGWRGRLEIASFLPEDAGRYLCLARGSMIVLQNLTLITGDSLTSSNDDEDPKSHRDPSNRHSYPQQAPYWTHPQRMEKKLHAVPAGNTVKFRCPAAGNPTPTIRWLKDGQAFHGENRIGGI... |
What is the biological target of this clinically approved compound? | Drug SMILES: [Cl-].[Cl-].[Zn++] | This approved drug compound targets the protein with sequence: MKPNIIFVLSLLLILEKQAAVMGQKGGSKGRLPSEFSQFPHGQKGQHYSGQKGKQQTESKGSFSIQYTYHVDANDHDQSRKSQQYDLNALHKTTKSQRHLGGSQQLLHNKQEGRDHDKSKGHFHRVVIHHKGGKAHRGTQNPSQDQGNSPSGKGISSQYSNTEERLWVHGLSKEQTSVSGAQKGRKQGGSQSSYVLQTEE... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MRFDEAYSGKVFIKSHPSFEESEVVIYGMPMDWTVSYRPGSRFGPARIREVSIGLEEYSPYLDRELEEVKYFDAGDIPLPFGNAQRSLDMIEEYVSKLLDAGKFPLGLGGEHLVSWPIFKAMAKKYPDLAIIHMDAHTDLRESYEGEPLSHSTPIRKVCDLIGPENVYSFGIRSGMKEEFEWAKEVGMNLYKFDVLEPLK... | 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. |
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: MADGLNRVHYNPSTAQLVEFALLRGEGELTANGALVAKTGTRTGRSPGDRFIVKEDSSAADIEWGPVNQAFEPGAFEGLWARVEAFLADKELFVSDLEVGADPEHYQPVRVTTQYAWHQLFARNLFIIPEEFNRQDKPVWQIINAPDFVCVPERDGTNSDAAVILNFAERKVLLAGLKYAGEMKKSMFSVQNFLLPAQGV... | 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: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MFSWSYLMGLVMVATATLSLARPSYNIAEDTTLEPEEPPTKYQISQPDVHSALPGESVELRCLLGDAIMVTWTKDGAQLVSNNRTLLIGPYLQIREAAPRDSGLYACGATRPLQSETRYFIVNITDGNSSGDDEDDNDGSEDFTNDNNHKRAPYWTNTEKLEKKLHAVPAANTVKFRCPAGGNPLPSMRWLKNGKEFKQE... | 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: [Cu] | This approved drug compound targets the protein with sequence: MPLLLYTCLLWLPTSGLWTVQAMDPNAAYVNMSNHHRGLASANVDFAFSLYKHLVALSPKKNIFISPVSISMALAMLSLGTCGHTRAQLLQGLGFNLTERSETEIHQGFQHLHQLFAKSDTSLEMTMGNALFLDGSLELLESFSADIKHYYESEVLAMNFQDWATASRQINSYVKNKTQGKIVDLFSGLDSPAILVLVNY... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O | This approved drug compound targets the protein with sequence: MTFSEILDRVGSMGHFQFLHVAILGLPILNMANHNLLQIFTAATPVHHCRPPHNASTGPWVLPMGPNGKPERCLRFVHPPNASLPNDTQRAMEPCLDGWVYNSTKDSIVTEWDLVCNSNKLKEMAQSIFMAGILIGGLVLGDLSDRFGRRPILTCSYLLLAASGSGAAFSPTFPIYMVFRFLCGFGISGITLSTVILNVE... |
Identify the protein target for the following approved drug compound. | Drug SMILES: [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(C)=O)C=C3CC[C@@]21[H] | This approved drug compound targets the protein with sequence: MNENLFASFIAPTILGLPAAVLIILFPPLLIPTSKYLINNRLITTQQWLIKLTSKQMMTMHNTKGRTWSLMLVSLIIFIATTNLLGLLPHSFTPTTQLSMNLAMAIPLWAGTVIMGFRSKIKNALAHFLPQGTPTPLIPMLVIIETISLLIQPMALAVRLTANITAGHLLMHLIGSATLAMSTINLPSTLIIFTILILLT... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MFSIQQPLLVFSDLDGTLLDSHSYDWQPAAPWLTRLREANVPVILCSSKTSAEMLYLQKTLGLQGLPLIAENGAVIQLAEQWQEIDGFPRIISGISHGEISQVLNTLREKEHFKFTTFDDVDDATITEWTGLSRSQAALTQLHEASVTLIWRDSDERMAQFTARLNELGLQFMQGARFWHVLDASAGKDQAANWIIATYQ... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O
Protein sequence: MTTPQQPHGPLRSFGRLKSRPVKPRQQALLDTLLPEIAVPTGPFQPLDLMPEAKAVWLEIGFGGGEHMASQAGRNPETLVIGAEPFVNGVASAVRHVEEQALKNVRIHEGDARDVVDWLPDACLDRVFIMFPDPWHKARHNKRRLIQPEFVAKLARVMKPGAALRFATDWADYAEWTTERVLADPSFRFADEAADRNAIP... | 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. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CN(C)CCc1c(Br)[nH]c2ccc(CC3COC(=O)N3)cc12
Protein sequence: MPTDNDLKTSIVELLHDLDALLVAHFYQKDEIVELAHHTGDSLELAKIASQSDKNLIVFCGVHFMGESVKALAFEKQVIMPKLSCCSMARMIDSHYYDRSVHLLKECGVKEFYPITYINSNAEVKAKVAKDGGVVCTSRNASKIFNHALKQNKKIFFLPDKCLGENLALENGLKSAILGVNSPEEIKNADVVCYNGFCSV... | Yes, this compound binds to the given protein target. The SMILES structure CN(C)CCc1c(Br)[nH]c2ccc(CC3COC(=O)N3)cc12 has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: CN(C)CCSC1Cc2ccccc2Sc2ccccc21
Protein sequence: MKKTAVLSTVAFAIALGSASASFAADNRIGVTIYKYDDNFMSLMRKEIDKEAKVVGGIKLLMNDSQNAQSIQNDQVDILLSKGVKALAINLVDPAAAPTIIGKAKSDNIPVVFFNKDPGAKAIGSYEQAYYVGTDPKESGLIQGDLIAKQWKANPALDLNKDGKIQFVLLKGEPGHPDAEVRTKYVIEELNAKGIQTEQL... | Yes, this compound binds to the given protein target. The SMILES structure CN(C)CCSC1Cc2ccccc2Sc2ccccc21 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O | This approved drug compound targets the protein with sequence: MKTLLLLAVIMIFGLLQAHGNLVNFHRMIKLTTGKEAALSYGFYGCHCGVGGRGSPKDATDRCCVTHDCCYKRLEKRGCGTKFLSYKFSNSGSRITCAKQDSCRSQLCECDKAAATCFARNKTTYNKKYQYYSNKHCRGSTPRC |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MAPAVDRKGYWGPTTSTLDWCEENYVVTLFVAEFWNTVSNLIMIIPPIFGAIQGIRDRLEKRYIAAYLALTVVGMGSWCFHMTLKYEMQLLDELPMIYSCCIFVYCMFECFKTKSSINYHLLFTLFLYSLTVTTIYLKVKEPIFHQVMYGMLVFTLVLRSIYIVTWVYPWLRGLGYTSLTVFLLGFLLWNIDNIFCDSLR... | 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: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MMTRKRPLALLILDGWGYRENTQKNAVFHANTPVLDQLTAKYPNSLISGSGIDVGLPDGQMGNSEVGHINIGSGRIVYQELTRISKAIDDGEFDTNPTLIKAIDDAIKADAAVHIMGLLSPGGVHSHQDHIEAMCRLSVKRGAKKVYLHAFLDGRDTPPRSAKPGLAHFEELFKTLGTGQVASLIGRYYAMDRDNRWDRV... | 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. |
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: MSSAAVVHHDDLMEPTLQSIINQKTLRWIFVGGKGGVGKTTTSCSLAIQLAKARKSVLLISTDPAHNLSDAFGQKFGKEARLVDGYSNLSAMEIDPNGSIQDLLASGEAQGEDPMAGLGMGNMMQDLAFSIPGVDEAMSFAEVLKQVKSLSYEVIVFDTAPTGHTLRFLQFPTVLEKALAKLSQLSSQFGPMLNSILGAR... | 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: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MLVDLDEILVSLKEGRHIPEETVYALCMDSQELLMNESNVARVDTPVTICGDIHGQLHDLLTLFEKSGGVEKTRYVFLGDFVDRGFYSLESFLLLLVYKLRYPDRITLIRGNHETRQITKVYGFYDEVMRKYGNSNVWRYCCEVFDYLSLGAIINDSIFCVHGGLSPDITTLNEIRAIDRKQEVPHEGGMCDLLWSDPDE... | Yes, this compound binds to the given protein target. The SMILES structure Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYV... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: OCC1=C(Cl)C=C(Cl)C=C1 | This approved drug compound targets the protein with sequence: MPGAGDGGKAPARWLGTGLLGLFLLPVTLSLEVSVGKATDIYAVNGTEILLPCTFSSCFGFEDLHFRWTYNSSDAFKILIEGTVKNEKSDPKVTLKDDDRITLVGSTKEKMNNISIVLRDLEFSDTGKYTCHVKNPKENNLQHHATIFLQVVDRLEEVDNTVTLIILAVVGGVIGLLILILLIKKLIIFILKKTREKKKE... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CC(Cc1ccccc1)NCC=C1c2ccccc2CCc2ccccc21
Protein sequence: MVTAAMLLQCCPVPARGPTSLLGKVVKTHQFLFGIGRCPILATQGPNCSQIHLKATKAGGDSPSWAKGHCPFMLSELQDGKSKIVQKAAPEVQEDVKAFKTDLPSSLVSASLKKPFSSPQEQEQISGKVTHLIQDNMPGNYVFSYDQFFRDKIMEKKQDHTYRVFKTVNRWADAYPFAQHFSEASVASKDVSVWCSNDYL... | Yes, this compound binds to the given protein target. The SMILES structure CC(Cc1ccccc1)NCC=C1c2ccccc2CCc2ccccc21 has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1 | This approved drug compound targets the protein with sequence: MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLP... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2 | This approved drug compound targets the protein with sequence: MLRTILDAPQRLLKEGRASRQLVLVVVFVALLLDNMLFTVVVPIVPTFLYDMEFKEVNSSLHLGHAGSSPHALASPAFSTIFSFFNNNTVAVEESVPSGIAWMNDTASTIPPPATEAISAHKNNCLQGTGFLEEEITRVGVLFASKAVMQLLVNPFVGPLTNRIGYHIPMFAGFVIMFLSTVMFAFSGTYTLLFVARTLQ... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [Cu] | This approved drug compound targets the protein with sequence: MTMDKSELVQKAKLAEQAERYDDMAAAMKAVTEQGHELSNEERNLLSVAYKNVVGARRSSWRVISSIEQKTERNEKKQQMGKEYREKIEAELQDICNDVLELLDKYLIPNATQPESKVFYLKMKGDYFRYLSEVASGDNKQTTVSNSQQAYQEAFEISKKEMQPTHPIRLGLALNFSVFYYEILNSPEKACSLAKTAFDE... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: METKTKLHVGLLFGGNSSEHDVSKRSAHNIYDAMDKDRYNVSLFLLTRDGFVLSDAASRRVFDGEDEATVAAEEQAKVDASNPLAPIWNLSQAKDIDVFFPIIHGNLGEDGTIQGLFRLLKKPFVGSGVLASAVSFDKDMTKQVLTAHGIRNTKYVVLTPDNRADFDYATIQSRLGDNVFIKPANQGSSVGIHKASNVQE... | 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: [Zn++].CC([O-])=O.CC([O-])=O | This approved drug compound targets the protein with sequence: MSLWQPLVLVLLVLGCCFAAPRQRQSTLVLFPGDLRTNLTDRQLAEEYLYRYGYTRVAEMRGESKSLGPALLLLQKQLSLPETGELDSATLKAMRTPRCGVPDLGRFQTFEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQG... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]21O)C(C)C | This approved drug compound targets the protein with sequence: MDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYV... |
Identify the protein target for the following approved drug 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: MNYSLHLAFVCLSLFTERMCIQGSQFNVEVGRSDKLSLPGFENLTAGYNKFLRPNFGGEPVQIALTLDIASISSISESNMDYTATIYLRQRWMDQRLVFEGNKSFTLDARLVEFLWVPDTYIVESKKSFLHEVTVGNRLIRLFSNGTVLYALRITTTVACNMDLSKYPMDTQTCKLQLESWGYDGNDVEFTWLRGNDSVR... |
Does the following compound bind to the given protein target? | Compound SMILES: CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N.O=C(O)C(F)(F)F
Protein sequence: MSASDFSSAVVVLAAGAGTRMKSDLQKTLHSIGGRSLISHSLHAAAGLNPEHIVAVIGHGRDQVGPAVAQVAEELDREVLIAIQEEQNGTGHAVQCAMDQLEGFEGTIIVTNGDVPLLTDHTLSALLDAHVEVPTAVTVLTMRLDDPTGYGRIVRNEEGEVTAIVEQKDASAEVQAIDEVNSGVFAFDAAILRSALAELK... | Yes, this compound binds to the given protein target. The SMILES structure CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N.O=C(O)C(F)(F)F has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 | This approved drug compound targets the protein with sequence: METTPLNSQKQLSACEDGEDCQENGVLQKVVPTPGDKVESGQISNGYSAVPSPGAGDDTRHSIPATTTTLVAELHQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSC... |
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: MAATSLMSALAARLLQPAHSCSLRLRPFHLAAVRNEAVVISGRKLAQQIKQEVRQEVEEWVASGNKRPHLSVILVGENPASHSYVLNKTRAAAVVGINSETIMKPASISEEELLNLINKLNNDDNVDGLLVQLPLPEHIDERRICNAVSPDKDVDGFHVINVGRMCLDQYSMLPATPWGVWEIIKRTGIPTLGKNVVVAG... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MPSTDSIPKSNFDAIPDVIQAFKNGEFVVVLDDPSRENEADLIIAAESVTTEQMAFMVRHSSGLICAPLTPERTTALDLPQMVTHNADPRGTAYTVSVDAEHPSTTTGISAHDRALACRMLAAPDAQPSHFRRPGHVFPLRAVAGGVRARRGHTEAGVELCRLAGKRPVAVISEIVDDGQEVEGRAVRAAPGMLRGDECV... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H][C@@]12CCC[C@]1([H])C1=NN=C(CCN3CCN(CC3)C3=CC=CC(=C3)C(F)(F)F)N1C2 | This approved drug compound targets the protein with sequence: MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFY... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CCNC(C)CC1=CC=CC(=C1)C(F)(F)F | This approved drug compound targets the protein with sequence: MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVW... |
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: MTPASALVDQRSRPLRVLRLSLTARCNLACPYCCPDLEDPPDLLSLEQQLRLIRVACRLGIHSLRLTGGEPLLSARLLPLLQAIAAARATPGDPLQGLQQVALTTNGTLLSDQRACDLRQAGLDRITVSLDGVDGAVVARMAGRPTATAGDSLARKVLGGLASARSAGFDPLAGELKLNAVIQRGVNEDQLLPLADLARD... | Yes, this compound binds to the given protein target. The SMILES structure COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [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: MARFGEAVVARPGSGDGDSDQSRNRQGTPVPASGQAAAYKQTKAQRARTMALYNPIPVRQNCFTVNRSLFIFGEDNIVRKYAKKLIDWPPFEYMILATIIANCIVLALEQHLPEDDKTPMSRRLEKTEPYFIGIFCFEAGIKIVALGFIFHKGSYLRNGWNVMDFIVVLSGILATAGTHFNTHVDLRTLRAVRVLRPLKL... |
What is the biological target of this clinically approved compound? | Drug SMILES: CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2 | This approved drug compound targets the protein with sequence: MVPEPGPTANSTPAWGAGPPSAPGGSGWVAAALCVVIALTAAANSLLIALICTQPALRNTSNFFLVSLFTSDLMVGLVVMPPAMLNALYGRWVLARGLCLLWTAFDVMCCSASILNLCLISLDRYLLILSPLRYKLRMTPLRALALVLGAWSLAALASFLPLLLGWHELGHARPPVPGQCRLLASLPFVLVASGLTFFLP... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MGARASVLTGSKLDAWERIRLRPGSKKAYRLKHLVWASRELERYACNPGLLETAEGTEQLLQQLEPALKTGSEDLKSLWNAIAVLWCVHNRFDIRDTQQAIQKLKEVMASRKSAEAAKEETSPRQTSQNYPIVTNAQGQMVHQAISPRTLNAWVKAVEEKAFNPEIIPMFMALSEGAVPYDINTMLNAIGGHQGALQVLK... | 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: MNKQNNYSDDSIQVLEGLEAVRKRPGMYIGSTDKRGLHHLVYEVVDNSVDEVLNGYGDAITVTINQDGSISIEDNGRGMPTGIHASGKPTAEVIFTVLHAGGKFGQGGYKTSGGLHGVGASVVNALSEWLEVEIHRDGNIYTQNFKNGGIPATGLVKTGKTKKTGTKVTFKPDSEIFKSTTTFNFDILSERLQESAFLLK... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MTKSYNYKLTHFVTSAPDIRHLPVDSGIEIAFAGRSNAGKSSALNTLTNQKSLARTSKTPGRTRLINLFEVESGIRLVDLPGYGYAEVPEELKRKWQRALGEYLQMRDSLKGLVVLMDIRHPMKDLDQQMVQWAVDVNIPVLVLLTKADKLASGSRKEQLNQVREAALAFMGDVQVETFSSLKKQGVDKLRQKLDDWFAA... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@](N(C(=O)[C@]1([H])CCC(=O)N1C1=NC=CC(=C1)C#N)C1=CC(F)=CN=C1)(C(=O)NC1CC(F)(F)C1)C1=C(Cl)C=CC=C1 | This approved drug compound targets the protein with sequence: MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDAAEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRLVSGWVKPIIIGRHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAMGMYNQDKSIEDFAHSSFQMA... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CC(C)N(C)C)C=C1 | This approved drug compound targets the protein with sequence: MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLP... |
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: MKAPAVLAPGILVLLFTLVQRSNGECKEALAKSEMNVNMKYQLPNFTAETPIQNVILHEHHIFLGATNYIYVLNEEDLQKVAEYKTGPVLEHPDCFPCQDCSSKANLSGGVWKDNINMALVVDTYYDDQLISCGSVNRGTCQRHVFPHNHTADIQSEVHCIFSPQIEEPSQCPDCVVSALGAKVLSSVKDRFINFFVGNT... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MSLSRTTQLPFAKRQFFQVLARNYSNTQDADLVVIGGGPGGYVAAIKAAQLGMKTVCVEKNATLGGTCLNVGCIPSKALLNNSHYLHMAQHDFAARGIDCTASLNLPKMMEAKSNSVKQLTGGIKQLFKANKVGHVEGFATIVGPNTVQAKKNDGSVETINARNILIASGSEVTPFPGITIDEKQIVSSTGALSLGQVPK... | 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. |
Does the following compound bind to the given protein target? | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MAATSQVLTAIARRLEGKVALITGGASGIGETTAKLFSQHGAKVAIADVQDELGHSVVEAIGTSNSTYIHCDVTNEDGVKNAVDNTVSTYGKLDIMFSNAGISDPNRPRIIDNEKADFERVFSVNVTGVFLCMKHAARVMIPARSGNIISTASLSSTMGGGSSHAYCGSKHAVLGLTRNLAVELGQFGIRVNCLSPFGLP... | 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. |
Does the following compound bind to the given protein target? | Compound SMILES: Oc1ccc2c(O)c3ccccc3cc2c1O
Protein sequence: MAAGAGPGSAATMYVCGITPYDATHLGHAATYLAFDLIYRQWLDLGHDVHYVQNVTDVDDPLLERAARDGIDWRALAEREVSLFREDMAALRILAPRDYVGATEAIADVVELVEKMLASGAAYVVDGEFPDIYYRADATLQFGYESGYDRETMLRLFAERGGDPQRPGKTDALDALLWRAARPGEPSWPSPFGNGRPGWH... | Yes, this compound binds to the given protein target. The SMILES structure Oc1ccc2c(O)c3ccccc3cc2c1O has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl | This approved drug compound targets the protein with sequence: MERAPPDGPLNASGALAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSAFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMLLVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLI... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CN1C(C(=O)NC2=CC=CC=N2)=C(O)C2=C(C=C(Cl)S2)S1(=O)=O | This approved drug compound targets the protein with sequence: MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFLTRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADYGYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGSNMMFAFFAQHFTHQFFKTDH... |
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: MGSKTEMMERDAMATVAPYAPVTYHRRARVDLDDRLPKPYMPRALQAPDREHPYGTPGHKNYGLSVLQQHVSFFDIDDNGIIYPWETYSGLRMLGFNIIGSLIIAAVINLTLSYATLPGWLPSPFFPIYIHNIHKSKHGSDSKTYDNEGRFMPVNLELIFSKYAKTLPDKLSLGELWEMTEGNRDAWDIFGWIAGKIEWG... | 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: CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEE... |
Does the following compound bind to the given protein target? | Compound SMILES: COC(=O)c1c(C)nc2c(c1N)c1ccccc1n2C(=O)OC
Protein sequence: MATILQNLPIGQKVGIAFSGGLDTSAALHWMKLKGAIPYAYTANLGQPDEPDYEDIPRKAMQYGAEQARLIDCRSQLAAEGLAALQAGAFHITTAGVTYFNTTPLGRAVTGTMLVAAMKEDDVNIWGDGSTYKGNDIERFYRYGLLTNPSLKIYKPWLDQLFIDELGGRAEMSEFMTQAGFGYKMSAEKAYSTDSNMLGA... | Yes, this compound binds to the given protein target. The SMILES structure COC(=O)c1c(C)nc2c(c1N)c1ccccc1n2C(=O)OC has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: COc1cccc(NC(=O)N2N=C(C)N(C(=O)Nc3cccc(OC)c3)N=C2C)c1
Protein sequence: MRLAIRALLACAVLGLCLAEQTVRWCTVSNHEVSKCASFRDSMKSIVPAPPLVACVKRTSYLECIKAIADNEADAVTLDAGLVFEAGLSPYNLKPVVAEFYGSKTEPQTHYYAVAVVKKNSNFQLNQLQGKKSCHTGLGRSAGWNIPIGLLYWQLPEPRESLQKAVSNFFAGSCVPCADRTAVPNLCQLCVGKGTDKCAC... | Yes, this compound binds to the given protein target. The SMILES structure COc1cccc(NC(=O)N2N=C(C)N(C(=O)Nc3cccc(OC)c3)N=C2C)c1 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: [H][C@@]12CC3=C(C(O)=CC=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2 | This approved drug compound targets the protein with sequence: MSGPRAGFYRQELNKTVWEVPQRLQGLRPVGSGAYGSVCSAYDARLRQKVAVKKLSRPFQSLIHARRTYRELRLLKHLKHENVIGLLDVFTPATSIEDFSEVYLVTTLMGADLNNIVKCQALSDEHVQFLVYQLLRGLKYIHSAGIIHRDLKPSNVAVNEDCELRILDFGLARQADEEMTGYVATRWYRAPEIMLNWMHY... |
What is the biological target of this clinically approved compound? | Drug SMILES: CC(C)(C)NCC(O)C1=CC(CO)=C(O)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: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MPRLARRIYGIENEYGITCTQRGQRRLSPDEVARYLFRRVVSWGRSSNVFLENGARLYLDVGSHPEYATPECDSLSDLVAHDKAGERILESLAHSAEAKMREEGIRGDVFLLKNNTDSAGNSYGCHENYLTVRVDDLTRLVEVLIPFLVSRQIIAGAGKVLLTSRGPLYAVSQRAEHIWEGVSSATTRSRPIINTRDEPH... | 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: [Fe++].[H][C@](O)(CO)[C@@]1([H])OC(=O)C(O)=C1O.[H][C@](O)(CO)[C@@]1([H])OC(=O)C([O-])=C1[O-] | This approved drug compound targets the protein with sequence: MMDQARSAFSNLFGGEPLSYTRFSLARQVDGDNSHVEMKLAVDEEENADNNTKANVTKPKRCSGSICYGTIAVIVFFLIGFMIGYLGYCKGVEPKTECERLAGTESPVREEPGEDFPAARRLYWDDLKRKLSEKLDSTDFTGTIKLLNENSYVPREAGSQKDENLALYVENQFREFKLSKVWRDQHFVKIQVKDSAQNSV... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CC(C)C(=O)OCOC(=O)C1(C(=O)OCOC(=O)C(C)C)Oc2ccc(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2O1
Protein sequence: MTPHSTHVTLDHEGIIQPPAEFKERSKSKPNLADFETYSKMYKESIENPSKFFGEQALEHLSWDRPFDEARYPVSSEQDFADGDIASWFVNGQLNASYNAVDRWAIKNPNKPAIIYEADEENEGRIITYGQLLKDVCKLAQCLTKLGIRKGDSVAVYLPMIPEALVTLLAIVRIGAVHSVVFAGFSSSSLKDRILDASS... | Yes, this compound binds to the given protein target. The SMILES structure CC(C)C(=O)OCOC(=O)C1(C(=O)OCOC(=O)C(C)C)Oc2ccc(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2O1 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MSSDDRHLGSSCGSFIKTEPSSPSSGIDALSHHSPSGSSDASGGFGLALGTHANGLDSPPMFAGAGLGGTPCRKSYEDCASGIMEDSAIKCEYMLNAIPKRLCLVCGDIASGYHYGVASCEACKAFFKRTIQGNIEYSCPATNECEITKRRRKSCQACRFMKCLKVGMLKEGVRLDRVRGGRQKYKRRLDSESSPYLSLQ... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1 | This approved drug compound targets the protein with sequence: MTFRDLLSVSFEGPRPDSSAGGSSAGGGGGSAGGAAPSEGPAVGGVPGGAGGGGGVVGAGSGEDNRSSAGEPGSAGAGGDVNGTAAVGGLVVSAQGVGVGVFLAAFILMAVAGNLLVILSVACNRHLQTVTNYFIVNLAVADLLLSATVLPFSATMEVLGFWAFGRAFCDVWAAVDVLCCTASILSLCTISVDRYVGVRH... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H]C(Cl)(Br)C(F)(F)F | This approved drug compound targets the protein with sequence: MANGGGGGGGSSGGGGGGGGSSLRMSSNIHANHLSLDASSSSSSSSSSSSSSSSSSSSSSVHEPKMDALIIPVTMEVPCDSRGQRMWWAFLASSMVTFFGGLFIILLWRTLKYLWTVCCHCGGKTKEAQKINNGSSQADGTLKPVDEKEEAVAAEVGWMTSVKDWAGVMISAQTLTGRVLVVLVFALSIGALVIYFIDSS... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO | This approved drug compound targets the protein with sequence: MGFNLTFHLSYKFRLLLLLTLCLTVVGWATSNYFVGAIQEIPKAKEFMANFHKTLILGKGKTLTNEASTKKVELDNCPSVSPYLRGQSKLIFKPDLTLEEVQAENPKVSRGRYRPQECKALQRVAILVPHRNREKHLMYLLEHLHPFLQRQQLDYGIYVIHQAEGKKFNRAKLLNVGYLEALKEENWDCFIFHDVDLVPE... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: Cc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)ccnc12
Protein sequence: MGNFHATTIFAVHHNGECAMAGDGQVTMGNAVVMKHTARKVRKLFQGKVLAGFAGSVADAFTLFEMFEGKLEEYNGNLQRAAVEMAKQWRGDKMLRQLEAMLIVMDKTTMLLVSGTGEVIEPDDGILAIGSGGHYALAAGRALKQHASEHLTAKQIAKASLEIAGDICVYTNHNIIVEEL | 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. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCCC2=N1 | This approved drug compound targets the protein with sequence: MDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYV... |
Identify the protein target for the following approved drug compound. | Drug SMILES: FC(F)OC(F)C(F)(F)F | This approved drug compound targets the protein with sequence: MLPAALLRRPGLGRLVRHARAYAEAAAAPAAASGPNQMSFTFASPTQVFFNGANVRQVDVPTLTGAFGILAAHVPTLQVLRPGLVVVHAEDGTTSKYFVSSGSIAVNADSSVQLLAEEAVTLDMLDLGAAKANLEKAQAELVGTADEATRAEIQIRIEANEALVKALE |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: C[C@@H](O)[C@H](N)C(O)=O | This approved drug compound targets the protein with sequence: MALYQRWRCLRLQGLQACRLHTAVVSTPPRWLAERLGLFEELWAAQVKRLASMAQKEPRTIKISLPGGQKIDAVAWNTTPYQLARQISSTLADTAVAAQVNGEPYDLERPLETDSDLRFLTFDSPEGKAVFWHSSTHVLGAAAEQFLGAVLCRGPSTEYGFYHDFFLGKERTIRGSELPVLERICQELTAAARPFRRLEA... |
Describe the drug-target relationship for the following approved small molecule. | 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: MVNENTRMYIPEENHQGSNYGSPRPAHANMNANAAAGLAPEHIPTPGAALSWQAAIDAARQAKLMGSAGNATISTVSSTQRKRQQYGKPKKQGSTTATRPPRALLCLTLKNPIRRACISIVEWKPFEIIILLTIFANCVALAIYIPFPEDDSNATNSNLERVEYLFLIIFTVEAFLKVIAYGLLFHPNAYLRNGWNLLDF... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC)=C1)N2C | This approved drug compound targets the protein with sequence: MARRCGPVALLLGFGLLRLCSGVWGTDTEERLVEHLLDPSRYNKLIRPATNGSELVTVQLMVSLAQLISVHEREQIMTTNVWLTQEWEDYRLTWKPEEFDNMKKVRLPSKHIWLPDVVLYNNADGMYEVSFYSNAVVSYDGSIFWLPPAIYKSACKIEVKHFPFDQQNCTMKFRSWTYDRTEIDLVLKSEVASLDDFTPS... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO | This approved drug compound targets the protein with sequence: MEEKRRRARVQGAWAAPVKSQAIAQPATTAKSHLHQKPGQTWKNKEHHLSDREFVFKEPQQVVRRAPEPRVIDREGVYEISLSPTGVSRVCLYPGFVDVKEADWILEQLCQDVPWKQRTGIREDITYQQPRLTAWYGELPYTYSRITMEPNPHWHPVLRTLKNRIEENTGHTFNSLLCNLYRNEKDSVDWHSDDEPSLGR... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NC(CC(C)C)C(=O)O)C(C)(C)CCC1
Protein sequence: MLRWQTAGESHGEALVAMIEGMPSGVRVTSQDIRDALARRRLGYGRGARMKFEQDQVRLLTGVRFGSTLGSPIAIEIGNTEWPKWTEVMSADPLDHELAREGRNAPLSRPRPGHADLTGMRKYGFDDARPVLERSSARETASRVALGEVAALFLEQVAGIRTVSHVISIGGAGVESDNTPLPGPDDVAALDASPVRTLDK... | Yes, this compound binds to the given protein target. The SMILES structure CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NC(CC(C)C)C(=O)O)C(C)(C)CCC1 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: [Zn++].CC([O-])=O.CC([O-])=O | This approved drug compound targets the protein with sequence: MKPPRPVRTCSKVLVLLSLLAIHQTTTAEKNGIDIYSLTVDSRVSSRFAHTVVTSRVVNRANTVQEATFQMELPKKAFITNFSMIIDGMTYPGIIKEKAEAQAQYSAAVAKGKSAGLVKATGRNMEQFQVSVSVAPNAKITFELVYEELLKRRLGVYELLLKVRPQQLVKHLQMDIHIFEPQGISFLETESTFMTNQLVD... |
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: MELSPLQPVNENMLLNKKKNEDGKKRLSVERIYQKKTQLEHILLRPDTYIGSVELVTQQMWVYDEDVGINYREVTFVPGLYKIFDEILVNAADNKQRDPKMSCIRVTMMRNNLISIWNNGKGIPVVEHKVEKMYVPALIFGQLLTSSNYDDDEKKVTGGRNGYGAKLCNIFSTKFTVETASREYKKMFKQTWMDNMGRAG... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CC(N)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O
Protein sequence: TTTTPPSTPPLDDPATDPFLVARAAADHIAQATGVEGHDMALVLGSGWGGAAELLGEVVAEVPTHEIPGFSAPAVAGHLSVTRSIRVERADGSVRHALVLGSRTHLYEGKGVRAVVHGVRTAAATGAETLILTNGCGGLNQEWGAGTPVLLSDHINLTARSPLEGPTFVDLTDVYSPRLRELAHRVDPTLPEGVYAQFPG... | Yes, this compound binds to the given protein target. The SMILES structure CC(N)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O 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: MKILLATTNEGKVRELRQLLKDLDIEILSLKDMDKKLEVEEDKETFLENAIKKATSYAKFYKLPVIAEDSGLEVDALNGLPGIYSARFFDIEFGKEVLKEIPENLSKDEKNNLKLLRLLENQTNRKARYKTALVFYNFDYGIWTEGVCEGQIAYKPEGNQGFGYDPIFIPEGYNKTMAQLTPEEKNKISHRGKAVSKLVE... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MVNVSITTDYSRMLFMRNTTSTLKIAIIGYGSQGRAHALNLRDSGFDIIIGLRPGGPTEAKAQADGFTVQSPDQAAKHADLVAVLTPDMVQKKLYEEVLAPNIKQGACLLFAHGLNVHYGMITPRSDLDVVLVAPKGPGALVRREYEIGRGVPCIYAVHQDLSSHAEQLALTYAGGLGGARANIIKTTFKEETETDLFGE... | 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: [Fe++].[O-]C(=O)CCC([O-])=O | This approved drug compound targets the protein with sequence: MRLAVGALLVCAVLGLCLAVPDKTVRWCAVSEHEATKCQSFRDHMKSVIPSDGPSVACVKKASYLDCIRAIAANEADAVTLDAGLVYDAYLAPNNLKPVVAEFYGSKEDPQTFYYAVAVVKKDSGFQMNQLRGKKSCHTGLGRSAGWNIPIGLLYCDLPEPRKPLEKAVANFFSGSCAPCADGTDFPQLCQLCPGCGCST... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CC(Cc1ccccc1)NCC=C1c2ccccc2CCc2ccccc21
Protein sequence: MNEVFNFSAGPAMLPKQVLRQVKEELYSWNNMGVSVIEISHRSKEFLQLMQEAKQDMRDLLDITENYEVLFCHGGARAQFSAIPMNLLKTSSERVDYIITGYWAYNAAIEAKKYCDPRIINVVGEKNGLHNIQPISKWDVSENSLYIHYCPNETIDGIAVYETPNFSDKIVVADCSSTLFSGPLNINRFGIIYATAQKNI... | Yes, this compound binds to the given protein target. The SMILES structure CC(Cc1ccccc1)NCC=C1c2ccccc2CCc2ccccc21 has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCCCCCC(=O)NCC(O)CC(=O)O)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Protein sequence: MNDKFTTASFLESKKQGRKITMLTAYDYPTAKILDEAGVDSILVGDSLGMVVLGYEDTTRVTMDDMVHHTKAVVRGVKRAMVVADMPFLSYHTGKNDSVRNAGRLVSEGGCKAVKLEGGEDIIENVKAIISAGIPVVGHLGYTPQSINVFGGHKAQGKTI... | Yes, this compound binds to the given protein target. The SMILES structure C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCCCCCC(=O)NCC(O)CC(=O)O)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: CCC1(NC(=O)N(C)C1=O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MANFLLPRGTSSFRRFTRESLAAIEKRMAEKQARGSTTLQESREGLPEEEAPRPQLDLQASKKLPDLYGNPPQELIGEPLEDLDPFYSTQKTFIVLNKGKTIFRFSATNALYVLSPFHPIRRAAVKILVHSLFNMLIMCTILTNCVFMAQHDPPPWTKYVEYTFTAIYTFESLVKILARGFCLHAFTFLRDPWNWLDFSV... |
What is the biological target of this clinically approved compound? | Drug SMILES: CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MEGDSYHNATTVNGTPVNHQPLERHRLWEVITIAAVTAVVSLITIVGNVLVMISFKVNSQLKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWALGSLACDLWLALDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLISFILWAPAILCWQYLVGKRTVPLDECQIQFLSEPTITFGTAIA... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CC(C)(N)CC1=CC=CC=C1 | This approved drug compound targets the protein with sequence: METTPLNSQKQLSACEDGEDCQENGVLQKVVPTPGDKVESGQISNGYSAVPSPGAGDDTRHSIPATTTTLVAELHQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSC... |
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