instruction stringclasses 8
values | input stringlengths 16 761 | output stringlengths 112 280 |
|---|---|---|
Does the following compound bind to the given protein target? | Compound SMILES: Cc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)ccnc12
Protein sequence: MESSQMSNVFHATTIVCVRRGDKVAIAGDGQVTLGHTVMKSNARKVRRLGRDGQVLAGFAGAAADAFTLFELFEAKLEKHGQLSRAAVELAKDWRTERRLGKLEALLVVADKETSLVISGTGDVIEPEDGIVAIGSGGSYALSAARALMAHTALDARTIATEAIGIAGNICIYTNRNVVVDEL | Yes, this compound binds to the given protein target. The SMILES structure Cc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)ccnc12 has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: O=C(O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O
Protein sequence: MATGQRLMRAIRVSEFGGPEVLKLQSDVAVPIPEEHQVLIKVQACGVNPVDTYIRSGTYSRKPRLPYTPGLDVAGLIEAVGERVSAFKKGDRVFTTSTVSGGYAEYALAADHTVYKLPGELDFQKGAAIGVPYFTAYRALLHSACAKAGESVLVHGASGGVGLAACQIARACCFKVLGTAGTEEGQRVVLQNGAHEVFNH... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVW... |
Describe the drug-target relationship for the following approved small molecule. | 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: MSPCGPLNLSLAGEATTCAAPWVPNTSAVPPSGASPALPIFSMTLGAVSNLLALALLAQAAGRLRRRRSAATFLLFVASLLATDLAGHVIPGALVLRLYTAGRAPAGGACHFLGGCMVFFGLCPLLLGCGMAVERCVGVTRPLLHAARVSVARARLALAAVAAVALAVALLPLARVGRYELQYPGTWCFIGLGPPGGWRQ... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: C[N+](C)(C)CCO | This approved drug compound targets the protein with sequence: MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNPEAPGNMGLFDQQ... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H][C@@]12CCN(C[C@@H]1C=C)[C@]([H])(C2)[C@@H](O)C1=C2C=C(OC)C=CC2=NC=C1 | This approved drug compound targets the protein with sequence: MRRGALLAGALAAYAAYLVLGALLVARLEGPHEARLRAELETLRAQLLQRSPCVAAPALDAFVERVLAAGRLGRVVLANASGSANASDPAWDFASALFFASTLITTVGYGYTTPLTDAGKAFSIAFALLGVPTTMLLLTASAQRLSLLLTHVPLSWLSMRWGWDPRRAACWHLVALLGVVVTVCFLVPAVIFAHLEEAWS... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVI... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [Cl-].[Cl-].[Ca++] | This approved drug compound targets the protein with sequence: MAAEPLTELEESIETVVTTFFTFARQEGRKDSLSVNEFKELVTQQLPHLLKDVGSLDEKMKSLDVNQDSELKFNEYWRLIGELAKEIRKKKDLKIRKK |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]1(O)CCC2=O | This approved drug compound targets the protein with sequence: MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTK... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: Cc1cc(Cl)c2ccc(N(C)C)cc2n1
Protein sequence: ADNLAEFHVQNQECDSCHTPDGELSNDSLTYENTQCVSCHGTLEEVAETTKHEHYNAHASHFPGEVACTSCHSAHEKSMVYCDSCHSFDFNMPYAKKWQRDEPTIAELAKDKSERQAALASAPHDTVDVVVVGSGGAGFSAAISATDSGAKVILIEKEPVIGGNAKLAAGGMNAAWTDQQKAKKITDSPELMFEDTMKGG... | Yes, this compound binds to the given protein target. The SMILES structure Cc1cc(Cl)c2ccc(N(C)C)cc2n1 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: [H][C@@]12C=C[C@H](OC(C)=O)[C@@H]3OC4=C(OC(C)=O)C=CC5=C4[C@]13CCN(C)[C@@H]2C5 | This approved drug compound targets the protein with sequence: MWLRAFILATLSASAAWGHPSSPPVVDTVHGKVLGKFVSLEGFAQPVAIFLGIPFAKPPLGPLRFTPPQPAEPWSFVKNATSYPPMCTQDPKAGQLLSELFTNRKENIPLKLSEDCLYLNIYTPADLTKKNRLPVMVWIHGGGLMVGAASTYDGLALAAHENVVVVTIQYRLGIWGFFSTGDEHSRGNWGHLDQVAALRW... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C | This approved drug compound targets the protein with sequence: MELGGPGAPRLLPPLLLLLGTGLLRASSHVETRAHAEERLLKKLFSGYNKWSRPVANISDVVLVRFGLSIAQLIDVDEKNQMMTTNVWVKQEWHDYKLRWDPADYENVTSIRIPSELIWRPDIVLYNNADGDFAVTHLTKAHLFHDGRVQWTPPAIYKSSCSIDVTFFPFDQQNCTMKFGSWTYDKAKIDLVNMHSRVDQ... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 | This approved drug compound targets the protein with sequence: MELGGPGAPRLLPPLLLLLGTGLLRASSHVETRAHAEERLLKKLFSGYNKWSRPVANISDVVLVRFGLSIAQLIDVDEKNQMMTTNVWVKQEWHDYKLRWDPADYENVTSIRIPSELIWRPDIVLYNNADGDFAVTHLTKAHLFHDGRVQWTPPAIYKSSCSIDVTFFPFDQQNCTMKFGSWTYDKAKIDLVNMHSRVDQ... |
What is the biological target of this clinically approved compound? | Drug SMILES: [Ag] | This approved drug compound targets the protein with sequence: MDLSCSCATGGSCTCASSCKCKEYKCTSCKKNCCSCCPMGCAKCAQGCT |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12
Protein sequence: MTNIRKTHPLMKIINDAFIDLPTPSNISSWWNFGSLLGLCLIMQILTGLFLAMHYTPDTTTAFSSITHICRDVNYGWIIRYLHANGASMFFICLYAHMGRGLYYGSYAFQETWNIGVILLFTVMATAFVGYVLPWGQMSFWGATVITNLLSAIPYIGNTLVEWIWGGFSVDKATLTRFFAFHFILPFIILALAIVHLLFL... | Yes, this compound binds to the given protein target. The SMILES structure CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12 has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MKNIGININTDKDISRNILDKIFQYIHEECSEAKIKVFYDSKGLDNEESRALDAVMVLGGDGTILGTARALAKYDVPIFGINRGHLGFLAEIELEDCKKAIKNLFKGQYKIEDRIMLKCDLKGIDKKDDFLALNDIVLTKGNLSRIVKYSIYVDDVWYTTFVADGVIVATPTGSTAYSLSAGGPIVYPDLDVLEIAPICP... | 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. |
What is the biological target of this clinically approved compound? | Drug SMILES: CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MVVFNGLLKIKICEAVSLKPTAWSLRHAVGPRPQTFLLDPYIALNVDDSRIGQTATKQKTNSPAWHDEFVTDVCNGRKIELAVFHDAPIGYDDFVANCTIQFEELLQNGSRHFEDWIDLEPEGRVYVIIDLSGSSGEAPKDNEERVFRERMRPRKRQGAVRRRVHQVNGHKFMATYLRQPTYCSHCRDFIWGVIGKQGYQ... |
Identify the protein target for the following approved drug compound. | Drug SMILES: [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(=O)OC)N2C | This approved drug compound targets the protein with sequence: MPAFNRLFPLASLVLIYWVSVCFPVCVEVPSETEAVQGNPMKLRCISCMKREEVEATTVVEWFYRPEGGKDFLIYEYRNGHQEVESPFQGRLQWNGSKDLQDVSITVLNVTLNDSGLYTCNVSREFEFEAHRPFVKTTRLIPLRVTEEAGEDFTSVVSEIMMYILLVFLTLWLLIEMIYCYRKVSKAEEAAQENASDYLA... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)OC(C)C6=C(C7=CC8=C(C(=C(N8)C=C9C(=C(C(=N9)C=C1C(=C(C(=N1)C=C6N7)C)CCC(=O)O)CCC(=O)O)C)C)C(C)O)C)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O | This approved drug compound targets the protein with sequence: MWFLTTLLLWVPVDGQVDTTKAVITLQPPWVSVFQEETVTLHCEVLHLPGSSSTQWFLNGTATQTSTPSYRITSASVNDSGEYRCQRGLSGRSDPIQLEIHRGWLLLQVSSRVFTEGEPLALRCHAWKDKLVYNVLYYRNGKAFKFFHWNSNLTILKTNISHNGTYHCSGMGKHRYTSAGISVTVKELFPAPVLNASVTS... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CS(=O)(=O)c1ccc(C2=C(c3cc4ccccc4s3)C(=O)CC2)cc1
Protein sequence: MYIQTQFASLLLLAGTSLASQVRKYNFTITSQWSSGDGHGRPVFMINGQSPGPLIEADEGDEIEVFVDNQLAAETTMHWHGIYQIDRPWNDGVPGVTQYSMQPRDTYTYRFTVQQQYGSYFYHGHFGPAFADGMRGPMWIAPAAWRPRPYELISDSSHDVEQMKKAEKHPFHVVISDWNAEPMDILLVMYRDTGIVPWCS... | Yes, this compound binds to the given protein target. The SMILES structure CS(=O)(=O)c1ccc(C2=C(c3cc4ccccc4s3)C(=O)CC2)cc1 has documented binding affinity with the specified peptide sequence. |
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: MSLAVVILAAGKGSRMNSNKPKVLQTLTGKTLIRHVLSRVEPLNPDNIIVVTGHLKEMVEADLADKKVTFVEQKEQLGTGHAVLQALPYIKEDKVLILYGDVPLISTDVLANLIKSASDDLAVLTAIVDNPTGLGRIIRDKFGAVSHIVEEKDATDGQRQIKEINTGMYCVAKSHLDDWLPNLGNTNAQGEYYLTDIVAM... | 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: CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1 | This approved drug compound targets the protein with sequence: MASSLPWLCIILWLENALGKLEVEGNFYSENVSRILDNLLEGYDNRLRPGFGGAVTEVKTDIYVTSFGPVSDVEMEYTMDVFFRQTWTDERLKFGGPTEILSLNNLMVSKIWTPDTFFRNGKKSIAHNMTTPNKLFRIMQNGTILYTMRLTINADCPMRLVNFPMDGHACPLKFGSYAYPKSEIIYTWKKGPLYSVEVPE... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: NCC(O)=O | This approved drug compound targets the protein with sequence: MGRVGYWTLLVLPALLVWRGPAPSAAAEKGPPALNIAVMLGHSHDVTERELRTLWGPEQAAGLPLDVNVVALLMNRTDPKSLITHVCDLMSGARIHGLVFGDDTDQEAVAQMLDFISSHTFVPILGIHGGASMIMADKDPTSTFFQFGASIQQQATVMLKIMQDYDWHVFSLVTTIFPGYREFISFVKTTVDNSFVGWDM... |
Identify the protein target for the following approved drug compound. | Drug SMILES: N[C@@H](CC(O)=O)C(O)=O | This approved drug compound targets the protein with sequence: MPSASASRKSQEKPREIMDAAEDYAKERYGISSMIQSQEKPDRVLVRVRDLTIQKADEVVWVRARVHTSRAKGKQCFLVLRQQQFNVQALVAVGDHASKQMVKFAANINKESIVDVEGVVRKVNQKIGSCTQQDVELHVQKIYVISLAEPRLPLQLDDAVRPEAEGEEEGRATVNQDTRLDNRVIDLRTSTSQAVFRLQS... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: Cc1cc(/[N+]([O-])=N/c2ccccc2C)ccc1N
Protein sequence: MLDAFSKVITSADGKAAYVGGADLQALKKFVSEGNKRMDSVNAIVSNASCIVSDSVSGMVCENPSLIAPNGGVYTNRKMAACLRDAEIILRYVSYSLLSGDSSVLEDRCLNGLKETYASLGVPAAGNARTISIMKATVIGFITNNSQQKKLSTPAGDCSALASEVGGYFDKVSSALA | Yes, this compound binds to the given protein target. The SMILES structure Cc1cc(/[N+]([O-])=N/c2ccccc2C)ccc1N has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCO | This approved drug compound targets the protein with sequence: MGPLKAFLFSPFLLRSQSRGVRLVFLLLTLHLGNCVDKADDEDDEDLTVNKTWVLAPKIHEGDITQILNSLLQGYDNKLRPDIGVRPTVIETDVYVNSIGPVDPINMEYTIDIIFAQTWFDSRLKFNSTMKVLMLNSNMVGKIWIPDTFFRNSRKSDAHWITTPNRLLRIWNDGRVLYTLRLTINAECYLQLHNFPMDEH... |
Does the following compound bind to the given protein target? | Compound SMILES: COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C
Protein sequence: MTDVSSPAGGAASPVEMATSSSSAATTLTNGANKTAISTAAGVAPGAVPGPGSAAIPASSSSGNQVKLEHHHRQSNNNRPAATNRSSETKLRSPAGESDGASRLMTPAGSSSTPSQSPSPSQSPSQASIQTQTSQQDRLAKASTTASQQDVDEVARLFEEKPEAFEKWLTERAPPEALSRLQEFIENRKPHKRPSVTSDL... | Yes, this compound binds to the given protein target. The SMILES structure COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: N#C/C=C1/c2ccccc2N=C(N2CCC(O)(c3ccccc3)CC2)c2ccccc21
Protein sequence: MANDFLFTSESVSEGHPDKVADQISDAVLDAILAQDKYARVAAETLCNTGLVVLAGEITTTANVDYIQIARDTIKRIGYDNTDYGIDYKGCAVLVAYDKQSPDIAQGVDRASDDYLNQGAGDQGLMFGYACDETPELMPFPIYYAHRLVERQSLLRRDGRLPWLRPDAKSQVTVRYVDGKPHSVDTVVLSTQHSPDITQA... | Yes, this compound binds to the given protein target. The SMILES structure N#C/C=C1/c2ccccc2N=C(N2CCC(O)(c3ccccc3)CC2)c2ccccc21 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: CCC1(CCC(C)C)C(=O)NC(=O)NC1=O | This approved drug compound targets the protein with sequence: MKIIFPILSNPVFRRTVKLLLCLLWIGYSQGTTHVLRFGGIFEYVESGPMGAEELAFRFAVNTINRNRTLLPNTTLTYDTQKINLYDSFEASKKACDQLSLGVAAIFGPSHSSSANAVQSICNALGVPHIQTRWKHQVSDNKDSFYVSLYPDFSSLSRAILDLVQFFKWKTVTVVYDDSTGLIRLQELIKAPSRYNLRLK... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC | This approved drug compound targets the protein with sequence: MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCW... |
Determine whether this molecule interacts with the specified protein sequence. | 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: MNKCAIILAAGQGTRIKSKLPKVLHKACGKEMVNHVIDAMRNAEIEDVNVIIGKGAELVKERTTSRNVSYSLQAEQLGTGHAVKCAKDFLEGKTGVVAIFTGDAPLIKPETVKNLVDTHINEKNSATLLTSVIENPTGYGRIVRNGESVEKIVEHKDCNEQEIKIQEVNAGMYCFDIESLLTSLEQLSNDNAQGEYYLTD... | 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. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N.O=C(O)C(F)(F)F
Protein sequence: MDKLIIEGGYPLKGTVTVSGSKNAALPILIASILANKKVTLHNVPQLRDIRTTIKLLEILGCTIQQTEQCIELTPGTLQHEAPYELVCTMRASILVLGPLLAKLGKAKVAMPGGCAIGARPIDLHIKALEKMGAKFTLKDGYLIGDCTKLKGTHIYLDFPTVGGTENLLIAASIAEGETILENAAQEPEIEDLARFLIAC... | Yes, this compound binds to the given protein target. The SMILES structure CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N.O=C(O)C(F)(F)F has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CC(C)CC(NC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(N)=O | This approved drug compound targets the protein with sequence: MANSASPEQNQNHCSAINNSIPLMQGNLPTLTLSGKIRVTVTFFLFLLSATFNASFLLKLQKWTQKKEKGKKLSRMKLLLKHLTLANLLETLIVMPLDGMWNITVQWYAGELLCKVLSYLKLFSMYAPAFMMVVISLDRSLAITRPLALKSNSKVGQSMVGLAWILSSVFAGPQLYIFRMIHLADSSGQTKVFSQCVTHC... |
What is the biological target of this clinically approved compound? | Drug SMILES: CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1 | This approved drug compound targets the protein with sequence: MANSASPEQNQNHCSAINNSIPLMQGNLPTLTLSGKIRVTVTFFLFLLSATFNASFLLKLQKWTQKKEKGKKLSRMKLLLKHLTLANLLETLIVMPLDGMWNITVQWYAGELLCKVLSYLKLFSMYAPAFMMVVISLDRSLAITRPLALKSNSKVGQSMVGLAWILSSVFAGPQLYIFRMIHLADSSGQTKVFSQCVTHC... |
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: MASLSQLSGHLNYTCGAENSTGASQARPHAYYALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLP... |
Does the following compound bind to the given protein target? | Compound SMILES: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MYPAPDMSLWQGRIDSQEGADARRWHQWMRPYADDAEAASVLLGFASDEGVRRNQGRQGARHGPPALRRALANLAWHGEQAIYDAGDIVAGDDLEAAQERYAQRVADLLARGHRVVGLGGGHEIAYASFAGLARHLSRHERLPRIGILNFDAHFDLRHAERASSGTPFRQIAELCQASDWPFAYCCLGISRLSNTAALFD... | 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: CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F | This approved drug compound targets the protein with sequence: MEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREVIQNPGPRHPEAASAAPPGASLLLLQQQQQQQQQQQQQQQQQQQQQQQETSPRQQQQQQGEDGSPQAHRRGPTGYLVLDEEQQPSQPQSALECHPERGCVPEPGAAVAASKGLPQQLPAPPDEDDSAAPSTLSLLGPTFPGLSSCSADLKDILSEASTMQLLQQQQQE... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MMDVNSSGRPDLYGHLRSFLLPEVGRGLPDLSPDGGADPVAGSWAPHLLSEVTASPAPTWDAPPDNASGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMA... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CN(C)CCOC1=CC2=CC=CC=C2SC2=CC=C(Cl)C=C12 | This approved drug compound targets the protein with sequence: MMDVNSSGRPDLYGHLRSFLLPEVGRGLPDLSPDGGADPVAGSWAPHLLSEVTASPAPTWDAPPDNASGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMA... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MATLILADLHLSADTPAFNDAFLRLLNAAAGQIDALYLLGDIFEVWLGDDDPAPFPRSIISALHRFATSTPVYVMHGNRDFLLGPRFARESGATLLADPTLVELHGHRYLLSHGDLLCTDDIAYQRFRRTIRQPWRQWLLRHLPLALRQRIGQRLRQQSRTAKNDKPLYIMDASTEEVGRWLLEHAGSTLIHGHTHRPGH... | 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: CC(=O)N[C@H]1[C@H](O)O[C@H](OS(=O)(=O)O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O | This approved drug compound targets the protein with sequence: MTILFLTMVISYFGCMKAAPMKEANIRGQGGLAYPGVRTHGTLESVNGPKAGSRGLTSLADTFEHVIEELLDEDQKVRPNEENNKDADLYTSRVMLSSQVPLEPPLLFLLEEYKNYLDAANMSMRVRRHSDPARRGELSVCDSISEWVTAADKKTAVDMSGGTVTVLEKVPVSKGQLKQYFYETKCNPMGYTKEGCRGID... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | 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: MAKERGLISPSDFAQLQKYMEYSTKKVSDVLKLFEDGEMAKYVQGDAIGYEGFQQFLKIYLEVDNVPRHLSLALFQSFETGHCLNETNVTKDVVCLNDVSCYFSLLEGGRPEDKLEFTFKLYDTDRNGILDSSEVDKIILQMMRVAEYLDWDVSELRPILQEMMKEIDYDGSGSVSQAEWVRAGATTVPLLVLLGLEMTL... |
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: MQAVQQEIAQALKVQPPFEGAAALEQEVARRVAFIKGCLNNARLKTLVLGISGGVDSLTAALLAQRAINELRSETGDAGYRFIAVRLPYQVQHDEHDAQACLEVIKADEVHTVDIAPAVRALAAETEALKGGSPSLVDFVVGNIKARTRMVAQYTIAGARAGLVIGTDHAAEAVMGFFTKFGDGACDLAPLSGLVKNQVR... | 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: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MRIAVLSRNPNLYSTRRLKEAGEARGHTVDIIDTLHCYMDITMSRPAVRYHGEELPYYDAVIPRIGASITFYGTAVVRQFEMMGTFCVNESVAISRSRDKLRSLQLLSRKGVGLPRTGFANRPDKIKDLIKNVGGAPLVIKLLEGTQGIGVVLADTNKTAESILEAFMGLNANILVQEYIKEAGGADIRCFVVGNKVVAA... | 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: [H]\C(CN1CCCC1)=C(\C1=CC=C(C)C=C1)C1=CC=CC(=N1)C(\[H])=C(/[H])C(O)=O | This approved drug compound targets the protein with sequence: MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFY... |
Describe the drug-target relationship for the following approved small molecule. | 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: MFRQEQPLAEGSFAPMGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAE... |
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: MHRNLGDKDLNLPQYYNNRELSWLDFNYRVLQEAQDKNNPLLEQLNFISIFSSNLDEFFMVRVAGLQDQVKMGYDKPENKAQLTPKQQLVQIKLKNKEIVDLQYKRYNELIDDLKQYQVEIIKPEQLPDDLLPQLESEFKYGILPTLTPLGIDAYHPFPKLNNKSLNIFVDIDTEDDINSAIVQIPSLISRFYSFNKGDK... | 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: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MAVFAIQRLYIGGAYVDATSGETFDTLDPATGETLASVQQASAADVERAVQSAREGQREWAALTAMQRSRVLRRAVEILRERNDELAALETRDTGKPIAETLAVDIATGADVIEYYAGLATAIEGQQIPLRPTSFVYTRREPLGVCAGIGAWNYPIQIACWKSAPALAAGNAMIFKPSEITPLSALKLAEIYTEAGVPAG... | 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: CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLW... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [Cl-].[Cl-].[Zn++] | This approved drug compound targets the protein with sequence: MWCIVLFSLLAWVYAEPTMYGEILSPNYPQAYPSEVEKSWDIEVPEGYGIHLYFTHLDIELSENCAYDSVQIISGDTEEGRLCGQRSSNNPHSPIVEEFQVPYNKLQVIFKSDFSNEERFTGFAAYYVATDINECTDFVDVPCSHFCNNFIGGYFCSCPPEYFLHDDMKNCGVNCSGDVFTALIGEIASPNYPKPYPENS... |
Does the following compound bind to the given protein target? | Compound SMILES: COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C
Protein sequence: MLLYTYRSFDMELPTVDIKDADYIILGLPFDGTTSYKPGARFGPVLIRQATLNLESYILDYDIDIAELKIADAGDVALPVSIEDAIKVAVETIKEVRSINPRALPIFLGGEHSMTYPPVKVLEPKSYVVFDAHLDLRDSYQGSRFNHACVARRIHEMGVKVAIFGVRSGTREEVMFASQSGIEWVHARDYNFDAFVDLVS... | Yes, this compound binds to the given protein target. The SMILES structure COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C has documented binding affinity with the specified peptide sequence. |
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: MVLVVDVGNTHIVLGVFEGKKLLANWRLGTNKERTSDELGMLILGLFNHEKLSIDKVKSVVVASVVPPIMYTLEHAIKKYINIQPMIIGPGTKTGINIRYQNPKEVGADRIVNAVAGFELYGGPLIIVDMGTATTFCAISEKGEYLGGVICPGIKISAEALYQKAAKLPRIDLVKPESVIGKNTISSMQSGVFFGYVGQV... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MNPLQLLQPLPAEIKGTKLLAHWDSGATITCIPESFLEDEQPIKKTLIKTIHGEKQQNVYYVTFKVKGRKVEAEVIASPYEYILLSPTDVPWLTQQPLQLTILVPLQEYQEKILSKTALPEDQKQQLKTLFVKYDNLWQHWENQVGHRKIRPHNIATGDYPPRPQKQYPINPKAKPSIQIVIDDLLKQGVLTPQNSTMNT... | 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@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO | This approved drug compound targets the protein with sequence: MSTVHEILCKLSLEGDHSTPPSAYGSVKAYTNFDAERDALNIETAIKTKGVDEVTIVNILTNRSNAQRQDIAFAYQRRTKKELASALKSALSGHLETVILGLLKTPAQYDASELKASMKGLGTDEDSLIEIICSRTNQELQEINRVYKEMYKTDLEKDIISDTSGDFRKLMVALAKGRRAEDGSVIDYELIDQDARDLYD... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]12CCCC[C@@]11CCN(C)[C@@H]2CC2=C1C=C(O)C=C2 | This approved drug compound targets the protein with sequence: MEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCML... |
What is the biological target of this clinically approved compound? | Drug SMILES: CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21 | This approved drug compound targets the protein with sequence: MMDVNSSGRPDLYGHLRSFLLPEVGRGLPDLSPDGGADPVAGSWAPHLLSEVTASPAPTWDAPPDNASGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMA... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MRTLWIMAVLLLGVEGNLFQFEKLIKKMTGKSGMLWYSAYGCYCGWGGQGRPKDATDRCCFVHDCCYGKVTGCNPKMDIYTYSVENGNIVCGGTNPCKKQICECDRAAAICFRDNLKTYDSKTYWKYPKKNCKEESEPC | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CNCC[S+]([O-])CP(=O)(O)O has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: NCC(O)=O | This approved drug compound targets the protein with sequence: MPSPRPVLLRGARAALLLLLPPRLLARPSLLLRRSLSAASCPPISLPAAASRSSMDGAGAEEVLAPLRLAVRQQGDLVRKLKEDKAPQVDVDKAVAELKARKRVLEAKELALQPKDDIVDRAKMEDTLKRRFFYDQAFAIYGGVSGLYDFGPVGCALKNNIIQTWRQHFIQEEQILEIDCTMLTPEPVLKTSGHVDKFAD... |
Does the following compound bind to the given protein target? | Compound SMILES: CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12
Protein sequence: MTNIRKTHPLLKIINHSFIDLPAPSNISSWWNFGSLLGICLMIQILTGLFLAMHYTSDTMTAFSSVTHICRDVNYGWLIRYLHANGASMFFICLFLHVGRGMYYGSYTFMETWNIGVILLFAVMATAFMGYVLPWGQMSFWGATVITNLLSAIPYIGTTLVEWIWGGFSVDKATLTRFFAFHFILPFIIAALVIVHLLFL... | Yes, this compound binds to the given protein target. The SMILES structure CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12 has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2NC(=O)c2ccc(N(C)C)cc2)cc1
Protein sequence: MGASRLYTLVLVLQPQRVLLGMKKRGFGAGRWNGFGGKVQEGETIEDGARRELQEESGLTVDALHKVGQIVFEFVGEPELMDVHVFCTDSIQGTPVESDEMRPCWFQLDQIPFKDMWPDDSYWFPLLLQKKKFHGYFKFQGQDTILDYTLREVDTV | Yes, this compound binds to the given protein target. The SMILES structure COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2NC(=O)c2ccc(N(C)C)cc2)cc1 has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | 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: MSASPLLDNQCDHLPTKMVDLTMVDKADELDRRVSDAFLEREASRGRRITQISTECSAGLACKRLADGRFPEISAGGKVAVLSAYIYIGKEILGRILESKPWARATVSGLVAIDLAPFCMDFSEAQLIQALFLLSGKRCAPIDLSHFVAISISKTAGFRTLPMPLYENGTMKCVTGFTITLEGAVPFDMVAYGRNLMLKG... | 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. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)C2=C(Cl)C(Cl)=CC=C2)CC1 | This approved drug compound targets the protein with sequence: MVNLRNAVHSFLVHLIGLLVWQSDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKV... |
Does the following compound bind to the given protein target? | Compound SMILES: C=CCN1CCC(Nc2nc3cccnc3n2Cc2ccccc2)CC1
Protein sequence: MKELLNRLISHETISTDEAKQVIFNISEGKYNDTQIAAFLTVYMMRSITIEELEGFRDALLELCIKVDLSAYNAVDLCGTGGDGKDTFNVSTTSSFVTAGAGVKVAKHGNYGVSSVSGSSNVMEYLGIKFSSDAGFLEKCIDQANICILHAPLFHPAMKNVGPVRKSLAVKTFFNMLGPMVNPAFPKNQLVGVFSLELAR... | Yes, this compound binds to the given protein target. The SMILES structure C=CCN1CCC(Nc2nc3cccnc3n2Cc2ccccc2)CC1 has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MDKLQNIRGVAFDLDGTLVDSAPGLAAAVDMALYALELPVAGEERVITWIGNGADVLMERALTWAREERATLRKTMGKPPVDEDIPAEEQVRILRKLFDRYYGEVAEEGTVLFPHVADTLGALHASGLSLGLVTNKPTPFVAPLLESLDIAKYFSVVIGGDDVQNKKPHPEPLLLVASRLGMMPEQMLFVGDSRNDIQAA... | 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: CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MKPRAECCSPKFWLVLAVLAVSGSRARSQKSPPSIGIAVILVGTSDEVAIKDAHEKDDFHHLSVVPRVELVAMNETDPKSIITRICDLMSDRKIQGVVFADDTDQEAIAQILDFISAQTLTPILGIHGGSSMIMADKDESSMFFQFGPSIEQQASVMLNIMEEYDWYIFSIVTTYFPGYQDFVNKIRSTIENSFVGWELE... |
What is the biological target of this clinically approved compound? | Drug SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C | This approved drug compound targets the protein with sequence: MSCLMVERCGEILFENPDQNAKCVCMLGDIRLRGQTGVRAERRGSYPFIDFRLLNSTTYSGEIGTKKKVKRLLSFQRYFHASRLLRGIIPQAPLHLLDEDYLGQARHMLSKVGMWDFDIFLFDRLTNGNSLVTLLCHLFNTHGLIHHFKLDMVTLHRFLVMVQEDYHSQNPYHNAVHAADVTQAMHCYLKEPKLASFLTP... |
What is the biological target of this clinically approved compound? | Drug SMILES: N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O | This approved drug compound targets the protein with sequence: MPMILGYWDIRGLAHAIRLLLEYTDSSYEEKKYTMGDAPDYDRSQWLNEKFKLGLDFPNLPYLIDGAHKITQSNAILCYIARKHNLCGETEEEKIRVDILENQTMDNHMQLGMICYNPEFEKLKPKYLEELPEKLKLYSEFLGKRPWFAGNKITFVDFLVYDVLDLHRIFEPKCLDAFPNLKDFISRFEGLEKISAYMKS... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CC/N=C(\N)Nc1nc2nc(NCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl
Protein sequence: MHLSEITHPNQLHGLSVRQLQQIARQIRDKHLQTVAVNGGHLGPGLGVVELTLGLYQTLDLDRDKVIWDVGHQAYPHKLLTGRYDRFHTLRQKDGVAGYLKLCENKFDHFGAGHASTSISAALGMALARDLKGEKFKAVAVIGDGALTGGMALEAINHAGHMPKTNLLVVLNDNDMSISRNVGAIPRYLNKMRLSQPVQF... | Yes, this compound binds to the given protein target. The SMILES structure CC/N=C(\N)Nc1nc2nc(NCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCN(CC)CCOC(=O)C1=CC=C(N)C=C1 | This approved drug compound targets the protein with sequence: MFIWTSGRTSSSYRHDEKRNIYQKIRDHDLLDKRKTVTALKAGEDRAILLGLAMMVCSIMMYFLLGITLLRSYMQSVWTEESQCTLLNASITETFNCSFSCGPDCWKLSQYPCLQVYVNLTSSGEKLLLYHTEETIKINQKCSYIPKCGKNFEESMSLVNVVMENFRKYQHFSCYSDPEGNQKSVILTKLYSSNVLFHSL... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MQGACVLLLLGLHLQLSLGLVPVEEEDPAFWNRQAAQALDVAKKLQPIQTAAKNVILFLGDGMGVPTVTATRILKGQMNGKLGPETPLAMDQFPYVALSKTYNVDRQVPDSAGTATAYLCGVKGNYRTIGVSAAARYNQCKTTRGNEVTSVMNRAKKAGKSVGVVTTTRVQHASPAGAYAHTVNRNWYSDADLPADAQMN... | 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: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MGSSGFSWTLPDHPKLPKGKSVAVVVLDGWGEANPDQYNCIHVAQTPVMDSLKNGAPEKWRLVKAHGTAVGLPSDDDMGNSEVGHNALGAGRIFAQGAKLVDQALASGKIYDGDGFNYIKESFESGTLHLIGLLSDGGVHSRLDQLQLLLKGVSERGAKKIRVHILTDGRDVLDGSSIGFVETLENDLLELRAKGVDAQI... | 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: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MTTRVIALDLDGTLLTPKKTLLPSSIEALARAREAGYQLIIVTGRHHVAIHPFYQALALDTPAICCNGTYLYDYHAKTVLEADPMPVIKALQLIEMLNEHHIHGLMYVDDAMVYEHPTGHVIRTSNWAQTLPPEQRPTFTQVASLAETAQQVNAVWKFALTHDDLPQLQHFGKHVEHELGLECEWSWHDQVDIARGGNSK... | 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: CC/N=C(\N)Nc1nc2nc(NCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl
Protein sequence: MSMRIPKAASVNDEQHQRIIKYGRALVLDIVEQYGGGHPGSAMGAMAIGIALWKYTLKYAPNDPNYFNRDRFVLSNGHVCLFQYIFQHLYGLKSMTMAQLKSYHSNDFHSLCPGHPEIEHDAVEVTTGPLGQGISNSVGLAIATKNLAATYNKPGFDIITNKVYCMVGDACLQEGPALESISLAGHMGLDNLIVLYDNNQ... | Yes, this compound binds to the given protein target. The SMILES structure CC/N=C(\N)Nc1nc2nc(NCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: [H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C | This approved drug compound targets the protein with sequence: MAEPRQEFEVMEDHAGTYGLGDRKDQGGYTMHQDQEGDTDAGLKESPLQTPTEDGSEEPGSETSDAKSTPTAEDVTAPLVDEGAPGKQAAAQPHTEIPEGTTAEEAGIGDTPSLEDEAAGHVTQEPESGKVVQEGFLREPGPPGLSHQLMSGMPGAPLLPEGPREATRQPSGTGPEDTEGGRHAPELLKHQLLGDLHQEG... |
What is the biological target of this clinically approved compound? | Drug SMILES: COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1 | This approved drug compound targets the protein with sequence: MPGAGDGGKAPARWLGTGLLGLFLLPVTLSLEVSVGKATDIYAVNGTEILLPCTFSSCFGFEDLHFRWTYNSSDAFKILIEGTVKNEKSDPKVTLKDDDRITLVGSTKEKMNNISIVLRDLEFSDTGKYTCHVKNPKENNLQHHATIFLQVVDRLEEVDNTVTLIILAVVGGVIGLLILILLIKKLIIFILKKTREKKKE... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MAFLLHQARFYTTVNHLRDLPPTVQPEIAFAGRSNAGKSTAINVLCNQKRLAFASKTPGRTQHINYFSVGPAAEPVANLVDLPGYGYAEVPGAAKAHWEMLLSSYLATRSQLCGLILMMDSRRPLTDLDRRMIEWFAPTGKPIHTLLTKCDKLTRQESINALRNTQKGLDAYRDQGVKGKLTVQLFSALKRTGLDEAHEL... | 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: COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C
Protein sequence: MIAGVDEAGRGPLVGSVVAAAVILDPHNPIDGLNDSKKLTEKKREKLFVEIQEKALAWSIAEANHIEIDELNILQATFLAMRRAVDGLQIQPDKVLVDGNQIPKGISIHCEAIVGGDASHAEISAASILAKVYRDQQMKLLDEKYPLFGFAKHKGYPTKAHFQAIAIHGVVDEHRRSYAPVRRALNIDC | Yes, this compound binds to the given protein target. The SMILES structure COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MKRSGKIFTTAMLAVTLMMPAMGVSANEGNAAAEGNEKFRVLVDSVDQKNLKNAKQQYGVHWDFAGEGFTTDMNEKQFNALKKNKNLTVEKVPELEIATATDKPEALYNAMAASQSTPWGIKAIYNNSSITQTSGGGGINIAVLDTGVNTNHPDLRNNVEQCKDFTVGTTYTNNSCTDRQGHGTHVAGSALADGGTGNGV... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CNCC[S+]([O-])CP(=O)(O)O has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MTNFKWIVAAAGLLSGQVLAAPTATSTHAKRATVSDAAFGYASLNGGTTGGAGGTTTTVSSYAAFTSAVSGDDAKVVYVDGTIKQTADQVKIGSNTSIIGKDANAILEGFGVLVKEKENVIIRNLGVSKVLADNGDAIGVQYSNNVWIDHCDVSSDRDHDKDYYDGLIDITHGSDYVTVSNTFIHDHWKASLVGHSDSNE... | 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: CCCCCNC(=N)N\N=C\C1=CNC2=C1C=C(OC)C=C2 | This approved drug compound targets the protein with sequence: MVNLRNAVHSFLVHLIGLLVWQSDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKV... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CS(=O)(=O)c1ccc(C2=C(c3cc4ccccc4s3)C(=O)CC2)cc1
Protein sequence: MRGVVKLFFLSCSLVSLVSSEETGKSPTANYDHYMPKATATIDPSVFALSNDFEITDVPTTREYTFDITKALASPDGYEREVYVVNNMFPGPVIEANTGDTIIVHVNNHLEEGQSIHWHGLRQLGTAFMDGVPGITQCPIPPGSSFTYQFTVSHQSGTFWWHSHYSNSMADGIWGPLIIHSPNEPLQRGRDYDEDRIVFI... | Yes, this compound binds to the given protein target. The SMILES structure CS(=O)(=O)c1ccc(C2=C(c3cc4ccccc4s3)C(=O)CC2)cc1 has documented binding affinity with the specified peptide sequence. |
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: MIFMEVTLAIVKPDGVKRGLIGEILKRYENKGLRLKAAKVVTPSIELLEKHYEEHKGKPFFKPLIEYMSSGPVFAMVLEGENAVKLVRMINGATKVEDALPGTIRGDFASSTTYNVVHGSDSVESAKREIALWFPELIL | 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(CCN1CCN(CCO)CC1)=C1/C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F | This approved drug compound targets the protein with sequence: MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCS... |
What is the biological target of this clinically approved compound? | Drug SMILES: CCN1N=NN(CCN2CCC(COC)(CC2)N(C(=O)CC)C2=CC=CC=C2)C1=O | This approved drug compound targets the protein with sequence: MDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCPPTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAI... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MKLLVVGSGGREHAIAKKLLASKGVDQVFVAPGNDGMTLDGLDLVNIVVSEHSRLIAFAKENEISWAFIGPDDALAAGIVDDFNTAGLRAFGPTKAAAELEWSKDFAKEIMVKYNVPTAAYGTFSDFEKAKAYIEEQGAPIVVKADGLALGKGVVVAETVEQAVEAAQEMLLDNKFGDSGARVVIEEFLDGEEFSLFAFV... | 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: 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: MAGNTFGQLFTVTTFGESHGAGLGCIIDGCPPGLELSEADIQFDLDRRKPGTSRHVTQRREADQVEILSGVFEGKTTGTPIALLIRNTDQRSKDYGNIATSFRPGHADYTYWHKYGTRDYRGGGRSSARETAARVAAGAVAKKWLKEKFGTEITAYVTQVGEKEIRFEGCEHISQNPFFAANHSQIAELENYMDSVRKSL... | 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. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CCC1=C(C(N)=NC(N)=N1)C1=CC=C(Cl)C=C1 | This approved drug compound targets the protein with sequence: MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND |
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: MAPLRPLLILALLAWVALADQESCKGRCTEGFNVDKKCQCDELCSYYQSCCTDYTAECKPQVTRGDVFTMPEDEYTVYDDGEEKNNATVHEQVGGPSLTSDLQAQSKGNPEQTPVLKPEEEAPAPEVGASKPEGIDSRPETLHPGRPQPPAEEELCSGKPFDAFTDLKNGSLFAFRGQYCYELDEKAVRPGYPKLIRDVW... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MTTLIISDLHLDPLRPVVTELFLRFLREQVSGADALYILGDLFEVWIGDDMPSEVADMVAAALRTYADAGTPLYFMPGNRDFLVGADYAARAGFRILPDPCVVDLYGEPTLLLHGDLLCTDDIAYQAFRAQTRDPEFIAQFLTQTLSARLAFSQQARLASHAHQSGLKQENDSTQFEKITDVVPADVAAMFACYGVNRMI... | 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: CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAII... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C
Protein sequence: MAVKEKKEFPPFEYPQGYQLFAGVDEVGRGPLVGDVVTAAVILDPNNPIEGLNDSKKLSEKKRLALLPEIKEKALAWSVGRCSPQEIDELNILQATMVAMQRAIAGLSVQPDMALIDGNRVPELPMAGLAIVKGDLRVAEISAASIIAKVVRDQEMEELDKLHPEFGFAKHKGYPTKAHFEAIEKHGVTEHYRKSFKPVK... | Yes, this compound binds to the given protein target. The SMILES structure COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MSSPASTPSRRSSRRGRVTPTQSLRSEESRSSPNRRRRGEDSSTGELLPMPTSPGADLQSPPAQNALFSSPPQMHSLAIPLDFDVSSPLTYGTPSSRVEGTPRSGVRGTPVRQRPDLGSARKGLQVDLQSDGAAAEDIVPSEQSLGQKLVIWGTDVNVATCKENFQRFLQCFTDPLAKEEENVGIDITQPLYMQQLGEIN... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MASAGKPNIDDGRRGTSSPKLKGRDHAKDTLCRNVTIYGRCRYEDKGCVFNHDPSRVNDAQHPERSSSKKRFNVDSPSFTPSATPLNGSSGLKKSATISPKAANAAPFLPKGVLSRSNAATPQSQPETSTPEWSIGEIQDFVPQGFDTSHVESIHGHGNGVLSTPAYDPFVSSSTPLGASGAVTHQVQPNPYSHDPSAIG... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MSLQPVPHRLLFSDSDDEEDGHSTGEDSAFQESDSPVSRLREKQEGPGGSWEEEEGLGSSPIKSPGHFFMCDSPTYRDLPPASPPGPAASPPDCPGTPPHKTFRKLRLFDTPHTPKSLLSKARGIGSSALRFRGGTLFREAEKLPKPEFTYSTPQVNINPFTPDSLEIQSSTGLCRRRKRALLNDSCGEDMEGSDCELED... | 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: ONC(=O)\C=C\C1=CC=CC(=C1)S(=O)(=O)NC1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MSSQSHPDGLSGRDQPVELLNPARVNHMPSTVDVATALPLQVAPSAVPMDLRLDHQFSLPVAEPALREQQLQQELLALKQKQQIQRQILIAEFQRQHEQLSRQHEAQLHEHIKQQQEMLAMKHQQELLEHQRKLERHRQEQELEKQHREQKLQQLKNKEKGKESAVASTEVKMKLQEFVLNKKKALAHRNLNHCISSDPR... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O | This approved drug compound targets the protein with sequence: MEPSSLELPADTVQRIAAELKCHPTDERVALHLDEEDKLRHFRECFYIPKIQDLPPVDLSLVNKDENAIYFLGNSLGLQPKMVKTYLEEELDKWAKIAAYGHEVGKRPWITGDESIVGLMKDIVGANEKEIALMNALTVNLHLLMLSFFKPTPKRYKILLEAKAFPSDHYAIESQLQLHGLNIEESMRMIKPREGEETLR... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CC(=O)OC1=CC=CC2=C1C(=O)C1=C(OC(C)=O)C=C(C=C1C2=O)C(O)=O | This approved drug compound targets the protein with sequence: MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEK... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CCO | This approved drug compound targets the protein with sequence: MGLRSHHLSLGLLLLFLLPAECLGAEGRLALKLFRDLFANYTSALRPVADTDQTLNVTLEVTLSQIIDMDERNQVLTLYLWIRQEWTDAYLRWDPNAYGGLDAIRIPSSLVWRPDIVLYNKADAQPPGSASTNVVLRHDGAVRWDAPAITRSSCRVDVAAFPFDAQHCGLTFGSWTHGGHQLDVRPRGAAASLADFVENV... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC | This approved drug compound targets the protein with sequence: MADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK |
What is the biological target of this clinically approved 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: MSSQSHPDGLSGRDQPVELLNPARVNHMPSTVDVATALPLQVAPSAVPMDLRLDHQFSLPVAEPALREQQLQQELLALKQKQQIQRQILIAEFQRQHEQLSRQHEAQLHEHIKQQQEMLAMKHQQELLEHQRKLERHRQEQELEKQHREQKLQQLKNKEKGKESAVASTEVKMKLQEFVLNKKKALAHRNLNHCISSDPR... |
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