instruction stringclasses 8
values | input stringlengths 16 761 | output stringlengths 112 280 |
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What is the biological target of this clinically approved compound? | Drug SMILES: COC1=CC=CC=C1OCC(O)CO | This approved drug compound targets the protein with sequence: MGRVGYWTLLVLPALLVWRGPAPSAAAEKGPPALNIAVMLGHSHDVTERELRTLWGPEQAAGLPLDVNVVALLMNRTDPKSLITHVCDLMSGARIHGLVFGDDTDQEAVAQMLDFISSHTFVPILGIHGGASMIMADKDPTSTFFQFGASIQQQATVMLKIMQDYDWHVFSLVTTIFPGYREFISFVKTTVDNSFVGWDM... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC#N
Protein sequence: MTAQTMTLGYARMGKRRELKKALEGFWSGALGSEALLATFWDLETQAWQTQLQAGIDHIAVGDQTLYDHVLDWATWLGLIPSRFRGLSGLDRYFAMARGREGLPALEMTKWFDTNYHYLVPEIEPEADPSPNFGDFLERVRRAQGILGERTSPVVLSPVTLLCLSQRSGDLRADLEKLLPLYRDLLQELKQLGIPEVQIH... | Yes, this compound binds to the given protein target. The SMILES structure CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC#N has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CNCC[C@@H](OC1=CC=CC=C1C)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MKPRAECCSPKFWLVLAVLAVSGSRARSQKSPPSIGIAVILVGTSDEVAIKDAHEKDDFHHLSVVPRVELVAMNETDPKSIITRICDLMSDRKIQGVVFADDTDQEAIAQILDFISAQTLTPILGIHGGSSMIMADKDESSMFFQFGPSIEQQASVMLNIMEEYDWYIFSIVTTYFPGYQDFVNKIRSTIENSFVGWELE... |
Identify the protein target for the following approved drug compound. | Drug SMILES: OC(CCN1CCCC1)(C1CCCCC1)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLP... |
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: MGLLGILCFLIFLGKTWGQEQTYVISAPKIFRVGASENIVIQVYGYTEAFDATISIKSYPDKKFSYSSGHVHLSSENKFQNSAILTIQPKQLPGGQNPVSYVYLEVVSKHFSKSKRMPITYDNGFLFIHTDKPVYTPDQSVKVRVYSLNDDLKPAKRETVLTFIDPEGSEVDMVEEIDHIGIISFPDFKIPSNPRYGMWT... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: O=C(O[C@H]1CN2CCC1CC2)N1CCC2=CC=CC=C2[C@@H]1C1=CC=CC=C1 | 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: [I-].[I-].[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CC[N+]1(C)C)C2=C6)=C(OC)C=C5)=CC(OC)=C4OC)C=C3 | This approved drug compound targets the protein with sequence: MGPSCPVFLSFTKLSLWWLLLTPAGGEEAKRPPPRAPGDPLSSPSPTALPQGGSHTETEDRLFKHLFRGYNRWARPVPNTSDVVIVRFGLSIAQLIDVDEKNQMMTTNVWLKQEWSDYKLRWNPTDFGNITSLRVPSEMIWIPDIVLYNNADGEFAVTHMTKAHLFSTGTVHWVPPAIYKSSCSIDVTFFPFDQQNCKMK... |
Identify the protein target for the following approved drug compound. | Drug SMILES: C[N+]1(C)CCN(CC(O)(C2CCCCC2)C2=CC=CC=C2)CC1 | 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: COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC=C)[C@H]1O5 | This approved drug compound targets the protein with sequence: MDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCPPTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAI... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MMLQHPGQVSASEVSASAIVPCLSPPGSLVFEDFANLTPFVKEELRFAIQNKHLCHRMSSALESVTVSDRPLGVSITKAEVAPEEDERKKRRRERNKIAAAKCRNKKKEKTECLQKESEKLESVNAELKAQIEELKNEKQHLIYMLNLHRPTCIVRAQNGRTPEDERNLFIQQIKEGTLQS |
What is the biological target of this clinically approved compound? | Drug SMILES: OC1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C#N)CC1 | This approved drug compound targets the protein with sequence: MFRQEQPLAEGSFAPMGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAE... |
What is the biological target of this clinically approved compound? | Drug SMILES: ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 | This approved drug compound targets the protein with sequence: MPAGMTKHGSRSTSSLPPEPMEIVRSKACSRRVRLNVGGLAHEVLWRTLDRLPRTRLGKLRDCNTHDSLLEVCDDYSLDDNEYFFDRHPGAFTSILNFYRTGRLHMMEEMCALSFSQELDYWGIDEIYLESCCQARYHQKKEQMNEELKREAETLREREGEEFDNTCCAEKRKKLWDLLEKPNSSVAAKILAIISIMFIV... |
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: MSIRVTQKSYKVSTSGPRAFSSRSYTSGPGSRISSSSFSRVGSSNFRGGLGGGYGGASGMGGITAVTVNQSLLSPLVLEVDPNIQAVRTQEKEQIKTLNNKFASFIDKVRFLEQQNKMLETKWSLLQQQKTARSNMDNMFESYINNLRRQLETLGQEKLKLEAELGNMQGLVEDFKNKYEDEINKRTEMENEFVLIKKDV... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12 | 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: CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O | This approved drug compound targets the protein with sequence: MIPIQLTVFFMIIYVLESLTIIVQSSLIVAVLGREWLQVRRLMPVDMILISLGISRFCLQWASMLNNFCSYFNLNYVLCNLTITWEFFNILTFWLNSLLTVFYCIKVSSFTHHIFLWLRWRILRLFPWILLGSLMITCVTIIPSAIGNYIQIQLLTMEHLPRNSTVTDKLENFHQYQFQAHTVALVIPFILFLASTIFLM... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MGARNSVLSGKKADELEKIRLRPGGKKRYQLKHIVWAANELDRFGLAESLLENKEGCQKILSVLAPLVPTGSENLKSLYNTVCVLWCIHAEEKVKHTEEAKQIVQRHLVVETGTADKMPATSRPTAPPSGKGGNYPVQQIGGNYTHLPLSPRTLNAWVKLIEEKKFGAEVVPGFQALSEGCTPYDINQMLNCVGEHQAAM... | 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: CN1C2=C(C=C(Cl)C=C2)C2(OC(C)=CC(=O)N2CC1=O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MDNGMFSGFIMIKNLLLFCISMNLSSHFGFSQMPTSSVKDETNDNITIFTRILDGLLDGYDNRLRPGLGERITQVRTDIYVTSFGPVSDTEMEYTIDVFFRQSWKDERLRFKGPMQRLPLNNLLASKIWTPDTFFHNGKKSIAHNMTTPNKLLRLEDDGTLLYTMRLTISAECPMQLEDFPMDAHACPLKFGSYAYPNSE... |
What is the biological target of this clinically approved compound? | Drug SMILES: CN1CCC(CC1)=C1C2=C(CCC3=CC=CC=C13)SC=C2 | This approved drug compound targets the protein with sequence: MVNLRNAVHSFLVHLIGLLVWQSDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKV... |
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: MTEKHLFTSESVSEGHPDKIADQISDSILDAMLEQDPEARVAVETTVTTGLVVVVGEVSTTAHIDIQKVVRETIKEIGYKNGKYGFDGDNCAVITAIDEQSPDIALGVDNSLEVKNGDVDPLDQIGAGDQGMMFGYAINETPELMPLPISLSHHLMKKVAEVRKNGTLAYLGPDAKAQVTVEYDDNNQPLRIDTVVLSTQ... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CCN(CC)CCOCCOC(=O)C1(CCCC1)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCPPTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAI... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CNCC[C@@H](OC1=CC=CC=C1C)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTK... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: N[C@@H](CC(N)=O)C(O)=O | This approved drug compound targets the protein with sequence: MEAPLQTEMVELVPNGKHSEGLLPVITPMAGNQRVEDPARSCMEGKSFLQKSPSKEPHFTDFEGKTSFGMSVFNLSNAIMGSGILGLAYAMANTGIILFLFLLTAVALLSSYSIHLLLKSSGVVGIRAYEQLGYRAFGTPGKLAAALAITLQNIGAMSSYLYIIKSELPLVIQTFLNLEEKTSDWYMNGNYLVILVSVTI... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21 | This approved drug compound targets the protein with sequence: MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEE... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CCCCOC(=O)C1=CC=C(N)C=C1 | This approved drug compound targets the protein with sequence: MAVPARTCGASRPGPARTARPWPGCGPHPGPGTRRPTSGPPRPLWLLLPLLPLLAAPGASAYSFPQQHTMQHWARRLEQEVDGVMRIFGGVQQLREIYKDNRNLFEVQENEPQKLVEKVAGDIESLLDRKVQALKRLADAAENFQKAHRWQDNIKEEDIVYYDAKADAELDDPESEDVERGSKASTLRLDFIEDPNFKNK... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O | This approved drug compound targets the protein with sequence: MSCESSMVLGYWDIRGLAHAIRLLLEFTDTSYEEKRYTCGEAPDYDRSQWLDVKFKLDLDFPNLPYLLDGKNKITQSNAILRYIARKHNMCGETEEEKIRVDIIENQVMDFRTQLIRLCYSSDHEKLKPQYLEELPGQLKQFSMFLGKFSWFAGEKLTFVDFLTYDILDQNRIFDPKCLDEFPNLKAFMCRFEALEKIAA... |
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: MGNYKSRPTQTCTDEWKKKVSESYVITIERLEDDLQIKEKELTELRNIFGSDEAFSKVNLNYRTENGLSLLHLCCICGGKKSHIRTLMLKGLRPSRLTRNGFTALHLAVYKDNAELITSLLHSGADIQQVGYGGLTALHIATIAGHLEAADVLLQHGANVNIQDAVFFTPLHIAAYYGHEQVTRLLLKFGADVNVSGEVG... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [Fe++].[O-]C(=O)CCC([O-])=O | This approved drug compound targets the protein with sequence: MANDSGGPGGPSPSERDRQYCELCGKMENLLRCSRCRSSFYCCKEHQRQDWKKHKLVCQGSEGALGHGVGPHQHSGPAPPAAVPPPRAGAREPRKAAARRDNASGDAAKGKVKAKPPADPAAAASPCRAAAGGQGSAVAAEAEPGKEEPPARSSLFQEKANLYPPSNTPGDALSPGGGLRPNGQTKPLPALKLALEYIVP... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MWVCLQLPVFLASVTLFEVAASDTIAQAASTTTISDAVSKVKIQVNKAFLDSRTRLKTTLSSEAPTTQQLSEYFKHAKGQTRTAIRNGQVWEESFKRLRRDTTLTNVTDPSLDLTALSWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAEYEDGLALPFGWTQRKTRNGFRVPLAREVSNKIV... | 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: CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1\C=C\C(=O)OC(C)(C)C)C(=O)OCC | This approved drug compound targets the protein with sequence: MEPSSPQDEGLRKKQPKKPVPEILPRPPRALFCLTLENPLRKACISIVEWKPFETIILLTIFANCVALAVYLPMPEDDNNSLNLGLEKLEYFFLIVFSIEAAMKIIAYGFLFHQDAYLRSGWNVLDFTIVFLGVFTVILEQVNVIQSHTAPMSSKGAGLDVKALRAFRVLRPLRLVSGVPSLQVVLNSIFKAMLPLFHIA... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(N3CCN(C)CC3)c2c(=O)n1Cc1ccnc(C)c1
Protein sequence: MSWDQVWIDINIATMSPNISEPYGAITDAALAVQDGKIAWVGKRSDLPEFDVFATPIYKGKGGWITPGLIDAHTHLVFAGNRANEFELRLNGASYEEIARSGGGIISTVNACREADEAELFELGRQRLNALAKEGVTTVEIKSGYGLDIETELKILRVARELGKHHHVDVKTTFLGAHAIPPEYKDSPGSTERSDAYVDL... | Yes, this compound binds to the given protein target. The SMILES structure COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(N3CCN(C)CC3)c2c(=O)n1Cc1ccnc(C)c1 has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: Cc1c(N2C[C@@H](CN)[C@H](C(F)(F)F)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12
Protein sequence: MNLSRRDFMKANAAMAAATAAGLTIPVKNVVAAESEIKWDKAVCRFCGTGCAVLVGTKDGRVVASQGDPDAEVNRGLNCIKGYFLPKIMYGKDRLTQPLLRMTNGKFDKNGDFAPVSWDFAFKTMAEKFKEAFKKNGQNAVGMFSSGQSTIWEGYAKNKLWKAGFRSNNVDPNARHCMASAAVAFMRTFGMDEPMGCYDD... | Yes, this compound binds to the given protein target. The SMILES structure Cc1c(N2C[C@@H](CN)[C@H](C(F)(F)F)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 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: MSLPGLELSQTSAEREFVSAPPTQISLSKGSEWRFEVAFGTAIRVKLLSGTAELFGTELAASQTYAFSGTKAAIYTWHGCTLEVGAGDTISTIDGLGSAGMNGGAVRGYGAGGCQSEYTAEETPMVEYANVHFALEAMRQEAKATGKDGPRVLILGPENAGKTSLAKILTAYATKVGRQPIVVNLDPAEGMLSVPGSLTA... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: N1N=CC=CC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MRKSPGLSDCLWAWILLLSTLTGRSYGQPSLQDELKDNTTVFTRILDRLLDGYDNRLRPGLGERVTEVKTDIFVTSFGPVSDHDMEYTIDVFFRQSWKDERLKFKGPMTVLRLNNLMASKIWTPDTFFHNGKKSVAHNMTMPNKLLRITEDGTLLYTMRLTVRAECPMHLEDFPMDAHACPLKFGSYAYTRAEVVYEWTR... |
What is the biological target of this clinically approved compound? | Drug SMILES: [Cu] | This approved drug compound targets the protein with sequence: MACPLEKALDVMVSTFHKYSGKEGDKFKLNKSELKELLTRELPSFLGKRTDEAAFQKLMSNLDSNRDNEVDFQEYCVFLSCIAMMCNEFFEGFPDKQPRKK |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [Zn++].CC([O-])=O.CC([O-])=O | This approved drug compound targets the protein with sequence: MGKEKTHINIVVIGHVDSGKSTTTGHLIYKCGGIDKRTIEKFEKEAAEMGKGSFKYAWVLDKLKAERERGITIDISLWKFETSKYYVTIIDAPGHRDFIKNMITGTSQADCAVLIVAAGVGEFEAGISKNGQTREHALLAYTLGVKQLIVGVNKMDSTEPPYSQKRYEEIVKEVSTYIKKIGYNPDTVAFVPISGWNGDN... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)C([H])(O)O[C@]3([H])O[C@@]4(C)CC[C@]1([H])[C@@]23OO4 | This approved drug compound targets the protein with sequence: MLRRALLCLAVAALVRADAPEEEDHVLVLRKSNFAEALAAHKYLLVEFYAPWCGHCKALAPEYAKAAGKLKAEGSEIRLAKVDATEESDLAQQYGVRGYPTIKFFRNGDTASPKEYTAGREADDIVNWLKKRTGPAATTLPDGAAAESLVESSEVAVIGFFKDVESDSAKQFLQAAEAIDDIPFGITSNSDVFSKYQLDK... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H][C@@]12CC3=CN(C)C4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)NC(CC)CO | This approved drug compound targets the protein with sequence: MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECV... |
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: MDTDYESTYEDDSQVPNDDVVPYSDDETDDELDSPQTDEPEQNRRNVQAEQSREPVIKECTWQVKANDRNFYDQPEFKKKVFLCLKKSKYAGNAIKTYKYNPITFLPVNLYEQFKRAANAYFLVLLILQTIPQISTVTWSTTLIPLLLVLGITAIKDLVDDIARHKMDNEINNRPSEVITDGRFKKTKWKHIHVGDIIRI... | 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: [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@](C)(O)CC[C@]12C | This approved drug compound targets the protein with sequence: MAPKLLLLLCLFSGLHARSRKVEEDEYEDSSSNQKWVLAPKSQDTDVTLILNKLLREYDKKLRPDIGIKPTVIDVDIYVNSIGPVSSINMEYQIDIFFAQTWTDSRLRFNSTMKILTLNSNMVGLIWIPDTIFRNSKTAEAHWITTPNQLLRIWNDGKILYTLRLTINAECQLQLHNFPMDEHSCPLIFSSYGYPKEEMI... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C1=C(C)ON=C1C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MKLVFLVLLFLGALGLCLAGRRRSVQWCAVSQPEATKCFQWQRNMRKVRGPPVSCIKRDSPIQCIQAIAENRADAVTLDGGFIYEAGLAPYKLRPVAAEVYGTERQPRTHYYAVAVVKKGGSFQLNELQGLKSCHTGLRRTAGWNVPIGTLRPFLNWTGPPEPIEAAVARFFSASCVPGADKGQFPNLCRLCAGTGENKC... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAII... |
What is the biological target of this clinically approved compound? | Drug SMILES: NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1 | This approved drug compound targets the protein with sequence: MLLWVQQALLALLLPTLLAQGEARRSRNTTRPALLRLSDYLLTNYRKGVRPVRDWRKPTTVSIDVIVYAILNVDEKNQVLTTYIWYRQYWTDEFLQWNPEDFDNITKLSIPTDSIWVPDILINEFVDVGKSPNIPYVYIRHQGEVQNYKPLQVVTACSLDIYNFPFDVQNCSLTFTSWLHTIQDINISLWRLPEKVKSDR... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2 | This approved drug compound targets the protein with sequence: MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWR... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COc1cccc2[nH]c(C(=O)NCCCCCCC(=O)NO)cc12
Protein sequence: MLTLYSETFPSRLLLGTAAYPTPEILKQSVRTARPAMITVSLRRAGCGGEAHGQGFWSLLQETGVPVLPNTAGCQSVQEAVTTAQMAREVFETDWIKLELIGDDDTLQPDVFQLVEAAEILIKDGFKVLPYCTEDLIACRRLLDVGCQALMPWAAPIGTGLGAVHAYALNVLRERLPYTPLIIDAGLGLPSQAAQVMEWG... | Yes, this compound binds to the given protein target. The SMILES structure COc1cccc2[nH]c(C(=O)NCCCCCCC(=O)NO)cc12 has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 | This approved drug compound targets the protein with sequence: MDLIPNLAVETWLLLAVSLVLLYLYGTRTHGLFKRLGIPGPTPLPLLGNVLSYRQGLWKFDTECYKKYGKMWGTYEGQLPVLAITDPDVIRTVLVKECYSVFTNRRSLGPVGFMKSAISLAEDEEWKRIRSLLSPTFTSGKLKEMFPIIAQYGDVLVRNLRREAEKGKPVTLKDIFGAYSMDVITGTSFGVNIDSLNNPQ... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COCC/N=C(\S)Nc1cc(Cl)ccc1C
Protein sequence: MAPTLQGQWIKVGQKGGTGPGPRSSHGIAAVGDKLYSFGGELTPNKHIDKDLYVFDFNTQTWSIAQPKGDAPTVSCLGVRMVAVGTKIYIFGGRDENRNFENFRSYDTVTSEWTFLTKLDEVGGPEARTFHSMASDENHVYVFGGVSKGGTMNTPTRFRTIEAYNIADGKWAQLPDPGDNFEKRGGAGFAVVQGKIWVVY... | Yes, this compound binds to the given protein target. The SMILES structure COCC/N=C(\S)Nc1cc(Cl)ccc1C has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: OC(=O)[C@@H]1CCC(=O)N1 | This approved drug compound targets the protein with sequence: MTDRQTDTAPSPSYHLLPGRRRTVDAAASRGQGPEPAPGGGVEGVGARGVALKLFVQLLGCSRFGGAVVRAGEAEPSGAARSASSGREEPQPEEGEEEEEKEEERGPQWRLGARKPGSWTGEAAVCADSAPAARAPQALARASGRGGRVARRGAEESGPPHSPSRRGSASRAGPGRASETMNFLLSWVHWSLALLLYLHH... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MRGYLNSNYKEVKRSINELDPSISSNLLNPDAIFANNEMSLEDIEVYGFDYDYTLAFYSKHLHTLIFNTARDILINEHRYPKEIQRYEYDPNFAIRGLHYDVHKALLMKIDSFHYIQLGTVYRGLNVVPDSEVIEMYEGSHVPLEQMSDFYGKSSEGNTMKQFMDIFSLPEMTLLCCVNEYFLKNNIDYEPVHLYKDVKE... | 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: NS(=O)(=O)CC1=NOC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MEIVWEVLFLLQANFIVCISAQQNSPKIHEGWWAYKEVVQGSFVPVPSFWGLVNSAWNLCSVGKRQSPVNIETSHMIFDPFLTPLRINTGGRKVSGTMYNTGRHVSLRLDKEHLVNISGGPMTYSHRLEEIRLHFGSEDSQGSEHLLNGQAFSGEVQLIHYNHELYTNVTEAAKSPNGLVVVSIFIKVSDSSNPFLNRML... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MSLGIVVNVSRQSAIDLARRLARWLDERKVDYVFESLSAEKTGSHRSAPIEELNTQCDAFISLGGDGTLLFTSQHSVTKPVIGVNVGRLGFLAEFSPEEMLPAVERFLNGDYSIHTRSQLEAGLLTNGSPEHFRALNDVVIEKGTYPRIPAFIIKLDGELLSSYRADGIIIATSTGSTAYSMSAGGPIIAPKSSVVVITP... | Yes, this compound binds to the given protein target. The SMILES structure COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: COC1=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: MSRPPPTGKMPGAPETAPGDGAGASRQRKLEALIRDPRSPINVESLLDGLNSLVLDLDFPALRKNKNIDNFLNRYEKIVKKIRGLQMKAEDYDVVKVIGRGAFGEVQLVRHKASQKVYAMKLLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPGGDLVNLMSNYDVPEKWAKFYTAEVVL... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CN(CCOC1=CC=C(NS(C)(=O)=O)C=C1)CCC1=CC=C(NS(C)(=O)=O)C=C1 | This approved drug compound targets the protein with sequence: MTAASRANPYSIVSSEEDGLHLVTMSGANGFGNGKVHTRRRCRNRFVKKNGQCNIEFANMDEKSQRYLADMFTTCVDIRWRYMLLIFSLAFLASWLLFGIIFWVIAVAHGDLEPAEGRGRTPCVMQVHGFMAAFLFSIETQTTIGYGLRCVTEECPVAVFMVVAQSIVGCIIDSFMIGAIMAKMARPKKRAQTLLFSHNA... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MADQLSEEQIGEFREAFSLFDKDGDGSITTKELGTVMRSLGQNPTEAELQDMISEVDTDSNGNIEFKEFLGLMARKLRDKDSEEELKEAFRVFDKDQNGFISATELRHVMANIGERLTDEEVGEMISEADVDGDGQINYEEFVKCMMAKKRRKRIEEKRDHDGGSRTKSAGPSAAPASKRGQKCVIL | 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: N[C@@H](CCC(O)=O)C(O)=O | This approved drug compound targets the protein with sequence: MLSQVYRCGFQPFNQHLLPWVKCTTVFRSHCIQPSVIRHVRSWSNIPFITVPLSRTHGKSFAHRSELKHAKRIVVKLGSAVVTRGDECGLALGRLASIVEQVSVLQNQGREMMLVTSGAVAFGKQRLRHEILLSQSVRQALHSGQNQLKEMAIPVLEARACAAAGQSGLMALYEAMFTQYSICAAQILVTNLDFHDEQKR... |
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: MEKTLSIIKPDAVKKGVIGKILDRFESNGLRIAAMKKVQLSKEQAENFYAVHKERPFFKDLVEFMISGPVVVSVLEGEGAVLKNRDLMGATNPKEAKAGTIRADFAESIDANAVHGSDSLENAKIEIEFFFKPNEIY | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MEDSHKSTTSETAPQPGSAVQGAHISHIAQQVSSLSESEESQDSSDSIGSSQKAHGILARRPSYRKILKDLSSEDTRGRKGDGENSGVSAAVTSMSVPTPIYQTSSGQYIAIAPNGALQLASPGTDGVQGLQTLTMTNSGSTQQGTTILQYAQTSDGQQILVPSNQVVVQTASGDMQTYQIRTTPSATSLPQTVVMTSPV... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CN[C@@]1(CCCCC1=O)C1=CC=CC=C1Cl | This approved drug compound targets the protein with sequence: MSTMRLLTLALLFSCSVARAACDPKIVNIGAVLSTRKHEQMFREAVNQANKRHGSWKIQLNATSVTHKPNAIQMALSVCEDLISSQVYAILVSHPPTPNDHFTPTPVSYTAGFYRIPVLGLTTRMSIYSDKSIHLSFLRTVPPYSHQSSVWFEMMRVYSWNHIILLVSDDHEGRAAQKRLETLLEERESKAEKVLQFDPG... |
Does the following compound bind to the given protein target? | Compound SMILES: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MTNEEELVVLADEEGNAIGTAPKATVHTTDTPLHFAFSSYILNPRGELLVTRRALSKKTWPGVWTNSMCGHPAPDETNADAIRRRGVSELGLDFGSFLDIQVVLDDYRYRAEDSSGIVEWEICPVHLVRLAVGEFVEPLPDEVEEFAWEEPQKVFDAVDATPFVFSPWMVDQLSHPELRQAILEAFDPEA | Yes, this compound binds to the given protein target. The SMILES structure Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12 has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MDQDYRARLVYPFSGAISPHADIVDQATLAWAAMFGLLTDSLRHKSRRLQYGLLAARAYPRADREMLQIAADWIAWLFFMDDQCDETGIGRDLQRMIALHERFLAILDGATPEAHDCALTYALADLRRRLALRAPDNWLRRFSEHVRLYFTANRWETVNRQRGATPNVATYCAARLFSGAVYACFDLIELAEQIELPFYA... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MEKRKIILDCDPGHDDAIAMMMAAKHPAIDLLGITIVAGNQTLDKTLINGLNVCQKLEINVPVYAGMPQPIMRQQIVADNIHGETGLDGPVFEPLTRQAESTHAVKYIIDTLMASDGDITLVPVGPLSNIAVAMRMQPAILPKIREIVLMGGAYGTGNFTPSAEFNIFADPEAARVVFTSGVPLVMMGLDLTNQTVCTPD... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CNCC[S+]([O-])CP(=O)(O)O has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MPDYRSKTSTFGRNMAGARALWRATGMKDEDFKKPIIAVANSFTQFVPGHVHLKDLGQLVAREIEKAGGVAKEFDTIAVDDGIAMGHDGMLYSLPSREIIADSVEYMVNAHCADALVCISNCDKITPGMLMASLRLNIPVVFVSGGPMEAGKTKLSQHGLDLVDAMVIAADSSASDEKVEAYERSACPTCGSCSGMFTAN... | 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: CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12
Protein sequence: MTNIRKTHPLLKIINSSFVDLPAPSSLSSWWNFGSLLGVCLGVQILTGLFLAMHYTSDTATAFNSVTHICRDVNYGWLLRYLHANGASMFFICLYLHVGRGLYYGSYTYSETWNVGILLLFAVMATAFMGYVLPWGQMSFWGATVITNLLSAIPYIGTELVQWIWGGFSVDKATLTRFFAFHFLLPFIITALVMVHLLFL... | 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. |
What is the biological target of this clinically approved compound? | Drug SMILES: CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVW... |
What is the biological target of this clinically approved compound? | Drug SMILES: [Cu] | This approved drug compound targets the protein with sequence: MVHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(O)C(\C=N\N4CCN(C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(O)=C2C(O)=C3C | This approved drug compound targets the protein with sequence: MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATGYHFNVMTCEGCKGFFRRAMKRNARLRCPFRKGACEITRKTRRQCQACRLRKCLESGMKKEMIMSDEAVEERRALIKRKKSERTGTQPLGVQGLTEEQRMMIRELMDAQMKTFDTTFSHFKNFRLPGVLSSGCELPESLQAPSREEAAKWS... |
What is the biological target of this clinically approved compound? | Drug SMILES: N[C@@H](CC1=CC(O)=C(O)C=C1)C(O)=O | This approved drug compound targets the protein with sequence: MLPPGSNGTAYPGQFALYQQLAQGNAVGGSAGAPPLGPSQVVTACLLTLLIIWTLLGNVLVCAAIVRSRHLRANMTNVFIVSLAVSDLFVALLVMPWKAVAEVAGYWPFGAFCDVWVAFDIMCSTASILNLCVISVDRYWAISRPFRYKRKMTQRMALVMVGLAWTLSILISFIPVQLNWHRDQAASWGGLDLPNNLANW... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MREIVHIQIGQCGNQIGAKFWEMIGEEHGIDLAGSDRGASALQLERISVYYNEAYGRKYVPRAVLVDLEPGTMDSIRSSKLGALFQPDSFVHGNSGAGNNWAKGHYTEGAELIENVLEVVRHESESCDCLQGFQIVHSLGGGTGSGMGTLLMNKIREEYPDRIMNSFSVMPSPKVSDTVVEPYNAVLSIHQLIENADACF... |
Describe the drug-target relationship for the following approved small molecule. | 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: MWTVQNRESLGLLSFPVMITMVCCAHSTNEPSNMSYVKETVDRLLKGYDIRLRPDFGGPPVDVGMRIDVASIDMVSEVNMDYTLTMYFQQSWKDKRLSYSGIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWNGGEGAV... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(C)=O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)CCc2ccc3ccccc3c2)[C@]2(O)C[C@H](OC(C)=O)C(C)=C1C2(C)C
Protein sequence: MSQTTTNPHVAVLAFPFSTHAAPLLAVVRRLAAAAPHAVFSFFSTSQSNASIFHDSMHTMQCNIKSYDISDGVPEGYVFAGRPQEDIELFTRAAPESFRQGMVMAVAETGRPVSCLVADAFIWFAADMAAEMGLAWLPFWTAGPNSLS... | Yes, this compound binds to the given protein target. The SMILES structure CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(C)=O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)CCc2ccc3ccccc3c2)[C@]2(O)C[C@H](OC(C)=O)C(C)=C1C2(C)C has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MTKASVAIVGSGNISTDLLYKLQRSEWLEPRWMIGIDPESEGLARARKLGLETSAEGVDWLLNQPEKPDLVFEATSAYVHREAAPRYEAAGIRAVDLTPAAVGPAVVPPANLREHLGAPNVNMITCGGQATIPIVYAVSRVVDVPYAEIVASVASVSAGPGTRANIDEFTKTTSRGIETIGGAQRGKAIIILNPADPPMI... | 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: CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)O
Protein sequence: MELWFTEKQTKHFGITARINRTLHTEQTEFQKLDMVETEEFGNMLILDGMVMTTEKDEFVYHEMVAHVPLFTHPNPENVLVVGGGDGGVIREVLKHPSVKKATLVEIDGKVIEYSKKYLPSIAGALDHERVEVKVGDGFLHIAESENEYDVIMVDSTEPVGPAVNLFTKGFYAGISKALKEDGIFVAQTDNPWFTPELIT... | Yes, this compound binds to the given protein target. The SMILES structure CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)C([H])(O)O[C@]3([H])O[C@@]4(C)CC[C@]1([H])[C@@]23OO4 | This approved drug compound targets the protein with sequence: MVLLESEQFLTELTRLFQKCRTSGSVYITLKKYDGRTKPIPKKGTVEGFEPADNKCLLRATDGKKKISTVVSSKEVNKFQMAYSNLLRANMDGLKKRDKKNKTKKTKAAAAAAAAAPAAAATAPTTAATTAATAAQ |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CCN1C)C2=C6)=C(O)C=C5)=CC(OC)=C4O)C=C3 | This approved drug compound targets the protein with sequence: MRCSPGGVWLALAASLLHVSLQGEFQRKLYKELVKNYNPLERPVANDSQPLTVYFSLSLLQIMDVDEKNQVLTTNIWLQMSWTDHYLQWNVSEYPGVKTVRFPDGQIWKPDILLYNSADERFDATFHTNVLVNSSGHCQYLPPGIFKSSCYIDVRWFPFDVQHCKLKFGSWSYGGWSLDLQMQEADISGYIPNGEWDLVG... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MARYIFITGGVVSSLGKGLASAALGALLQARGYKVRLRKLDPYLNLDPGTMSPYQHGEVFVTDDGAETDLDLGHYERFTGRPATRQDNITTGRIYQDILTKERRGDYLGATIQVIPHVTNAIKDFILDGNDGYDFVLCEIGGTVGDIEGLPFFEAIRQIKNDLPRGHAVYVHLTLLPFIPSAGELKTKPTQHSVKELRSI... | 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: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MNAADESLGNVLLVGLGAVAIQVALDLRRHGAGRLGALNHPGRRSQRIAEALARGACLQLEGQGQHRWLSGNAALDVFHQDPAELRDDWQTLVLCVPADSYLDVVRGLPWERLGGVRTLLLVSAFIGANLLVRSALPAGCQATVLSLSSYYAATKVIDETQPLRALTKAVKRRVYLGSSRPDCPARETWRRVLAGSGVEV... | Yes, this compound binds to the given protein target. The SMILES structure COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MVVRGILGRQRREYRAPEPHPSGARAPKLPGELIPNHVACVMDGNGRWAKERGLPRTEGHKVGEGVVMDVLKGCIELGVKNLSLYAFSTENWKRSPEEVRFLMNFNRDVIRRRRDEMDALGIRIRWVGRMPKLWKSVVQELQIAQEQTKDNDAMTLYFCVNYGGRAELADAAKAMAEDVAAGRLDPAKVSEKTIQKYLYY... | 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: CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12
Protein sequence: MATACVKSLESVQCGTCEKTIANGTEFYALLFDKHPDLRHYFKGNENLTGADVKKSDHFKKQGQRLLLACHVLAHLENDPASFKAYAREIVDPHLRMSVHLEPKLWSEFWPIWLDYLSTKESVDDATKNAWLALGKKFSDECLDHLKNLGQPH | 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: 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: MDLGVFIPIGNNGWLISTASPQYKPTFELNKQIVQRAEHYGFEFALSMIKLRGFGGKSEFWDYNLESFTLMAGLAAVTSRIKLFASTAVLTLPPAIVARMATTIDSISGGRFGINIVSGWAKAEYEQMGLWPGDDYFGYRYAYSTEYVQVMQELWRTGASDFKGKYFQMTDCHMKPLPAHKIEIVAAGQSPTGMAFAATY... | 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. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MLTIKNWQLLSDNDKRRCLSRPRDNSAIKENVLEIINQVQLSGDKALYDLTKRFDRVNLQYLQISQEKIRQASIPQNALIAIKQAIETISSYHQFLLPENTEISTASGITIRNVYRPIQKVGLYVPGGNKTPLVSSLLMQAIPAKVAGCPIKVLCTPPDAEGEINEHILVAARLCGIDTIYAIGGAQAIAAMAYGTESVI... | 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: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKETDSEEEIREAFRVFDKDGNGFISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVTMMTCK | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CNCC[S+]([O-])CP(=O)(O)O has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MGIKNLKSLLLENKSLTILDDNLYKVYNGIFVDTMSIYIAVANCVRNLEELTTVFIKYVNGWVKKGGHVTLFIDRGSIKIKQDVRDKRRKYSKLTKDRKMLELEKCTSEIQNVTGFMEEEIKAEMQLKIDKLTFQIYLSDSDNIKISLNEILTHFNNNENVTLFYCDERDAEFVMCLEAKTHFSTTGEWPLIISTDQDTM... | 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: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MAQQIQVDLGERSYPIYIGQSLMSDSETLSRYLLKKRILIVTNETVAPLYLKQVQDTMASFGEISSVILSDGEQFKDLTHLDSIFTALLQRNYGRDSVLVALGGGVIGDMTGFAAACYQRGIDFIQIPTTLLSQVDSSVGGKTAVNHPLGKNMIGAFYQPQIVIIDTECLQTLPAREFAAGMAEVIKYGIMWDADFFQWL... | 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. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MIIGLGNDLVDIRRIEDSLERFGERFIAKVFTEAERATAERRSGRARSGAYAKRFAAKEALVKALGKDGVSWRDIEVANDGDGRPFLSLSGGAAALLARRIPAGMIARLHLSLSDDYPLAQAVVIVEAQPA | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MFKRRALGFLLAFLLVFTAVFGSMPMEFAKAETDTAPAIANVVGNFQSKLGDSDWNINSDKTIMTYKGNGFYEFTTPVALPAGDYEYKVALNHSWEGGGVPSQGNLSFHLDSDSVVTFYYNYNTSSITDSTKYTPIPEDKLPRLVGTIQPAIGAGDDWKPETSTAIMRDYKFNNVYEYTANVPKGNYEFKVTLGPSWDIN... | 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: CC1CC2=CC=CC=C2N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O | This approved drug compound targets the protein with sequence: MAELPTTETPGDATLCSGRFTISTLLSSDEPSPPAAYDSSHPSHLTHSSTFCMRTFGYNTIDVVPTYEHYANSTQPGEPRKVRPTLADLHSFLKQEGRHLHALAFDSRPSHEMTDGLVEGEAGTSSEKNPEEPVRFGWVKGVMIRCMLNIWGVILYLRLPWITAQAGIVLTWIIILLSVTVTSITGLSISAISTNGKVKS... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: FC(F)OC(Cl)C(F)(F)F | This approved drug compound targets the protein with sequence: MIITQTSHCYMTSLGILFLINILPGTTGQGESRRQEPGDFVKQDIGGLSPKHAPDIPDDSTDNITIFTRILDRLLDGYDNRLRPGLGDAVTEVKTDIYVTSFGPVSDTDMEYTIDVFFRQTWHDERLKFDGPMKILPLNNLLASKIWTPDTFFHNGKKSVAHNMTTPNKLLRLVDNGTLLYTMRLTIHAECPMHLEDFPM... |
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: MATSTGRWLLLRLALFGFLWEASGGLDSGASRDDDLLLPYPRARARLPRDCTRVRAGNREHESWPPPPATPGAGGLAVRTFVSHFRDRAVAGHLTRAVEPLRTFSVLEPGGPGGCAARRRATVEETARAADCRVAQNGGFFRMNSGECLGNVVSDERRVSSSGGLQNAQFGIRRDGTLVTGYLSEEEVLDTENPFVQLLS... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C
Protein sequence: MDPNCSCSTGGSCSCATSCTCKACRCTSCKKSCCSCCPAGCAKCAQGCICKGASDKCSCCA | Yes, this compound binds to the given protein target. The SMILES structure COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: O=C(O)Cc1cccc2c1Cc1c-2nc(O)c2nc(-c3ccc(C(=O)O)cc3)cn12
Protein sequence: MTLDNINRAAVDRIIRVDHAGEYGANRIYAGQMAVLGRTSVGPVIQKMWDQEKNHLKKFNELMVAFRVRPTVLMPLWNVAGFALGAGTALLGKEGGMACTVAVEESIAHHYNNQIRMLMEEDAEKYEELLQVIKQFRDEELEHHDTGLEHDAELAPAYTLLKRLIQAGCSAAIYLSERF | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)Cc1cccc2c1Cc1c-2nc(O)c2nc(-c3ccc(C(=O)O)cc3)cn12 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC12CC3CC(C)(C1)CC(N)(C3)C2 | This approved drug compound targets the protein with sequence: MLLWVQQALLALLLPTLLAQGEARRSRNTTRPALLRLSDYLLTNYRKGVRPVRDWRKPTTVSIDVIVYAILNVDEKNQVLTTYIWYRQYWTDEFLQWNPEDFDNITKLSIPTDSIWVPDILINEFVDVGKSPNIPYVYIRHQGEVQNYKPLQVVTACSLDIYNFPFDVQNCSLTFTSWLHTIQDINISLWRLPEKVKSDR... |
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: MSEPKAIDPKLSTTDRVVKAVPFPPSHRLTAKEVFDNDGKPRVDILKAHLMKEGRLEESVALRIITEGASILRQEKNLLDIDAPVTVCGDIHGQFFDLMKLFEVGGSPANTRYLFLGDYVDRGYFSIECVLYLWALKILYPKTLFLLRGNHECRHLTEYFTFKQECKIKYSERVYDACMDAFDCLPLAALMNQQFLCVHG... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)Cc1cccc2c1Cc1c-2nc(O)c2nc(-c3ccc(C(=O)O)cc3)cn12 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: [Zn++].CC([O-])=O.CC([O-])=O | This approved drug compound targets the protein with sequence: MSRQFSSRSGYRSGGGFSSGSAGIINYQRRTTSSSTRRSGGGGGRFSSCGGGGGSFGAGGGFGSRSLVNLGGSKSISISVARGGGRGSGFGGGYGGGGFGGGGFGGGGFGGGGIGGGGFGGFGSGGGGFGGGGFGGGGYGGGYGPVCPPGGIQEVTINQSLLQPLNVEIDPEIQKVKSREREQIKSLNNQFASFIDKVRF... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: C=CC[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
Protein sequence: MLDDTIVAIATALGEGSIGVIRMSGPDAITIGKKVFRPKYNKEWYQKDNYKIIYGHVINPETGEIIDEVLLSIMRGPKSFTAEDVIEISCHGGIIPLRKVLEVILRNGARHAEPGEFSKRSFLNGRLDLAQAESIIDIIRAKTDAGAKIAVNQLGGKLSEKVNGLQHKVLGLLAKIEA... | Yes, this compound binds to the given protein target. The SMILES structure C=CC[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | Drug SMILES: NS(=O)(=O)CC1=NOC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MDDRCYPVIFPDERNFRPFTSDSLAAIEKRIAIQKEKKKSKDQTGEVPQPRPQLDLKASRKLPKLYGDIPRELIGKPLEDLDPFYRNHKTFMVLNRKRTIYRFSAKHALFIFGPFNSIRSLAIRVSVHSLFSMFIIGTVIINCVFMATGPAKNSNSNNTDIAECVFTGIYIFEALIKILARGFILDEFSFLRDPWNWLDS... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFY... |
Identify the protein target for the following approved drug compound. | Drug SMILES: [H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)C([H])(O)O[C@]3([H])O[C@@]4(C)CC[C@]1([H])[C@@]23OO4 | This approved drug compound targets the protein with sequence: MDTSRVQPIKLARVTKVLGRTGSQGQCTQVRVEFMDDTSRSIIRNVKGPVREGDVLTLLESEREARRLR |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21 | This approved drug compound targets the protein with sequence: MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVI... |
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: MAQRKNAKSSGNSSSSGSGSGSTSAGSSSPGARRETKHGGHKNGRKGGLSGTSFFTWFMVIALLGVWTSVAVVWFDLVDYEEVLGKLGIYDADGDGDFDVDDAKVLLGLKERSTSEPAVPPEEAEPHTEPEEQVPVEAEPQNIEDEAKEQIQSLLHEMVHAEHVEGEDLQQEDGPTGEPQQEDDEFLMATDVDDRFETLE... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: OC(CCN1CCCCC1)(C1CC2CC1C=C2)C1=CC=CC=C1 | 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: CN1CCCCC1C(=O)NC1=C(C)C=CC=C1C | This approved drug compound targets the protein with sequence: MEFPIGSLETNNFRRFTPESLVEIEKQIAAKQGTKKAREKHREQKDQEEKPRPQLDLKACNQLPKFYGELPAELIGEPLEDLDPFYSTHRTFMVLNKGRTISRFSATRALWLFSPFNLIRRTAIKVSVHSWFSLFITVTILVNCVCMTRTDLPEKIEYVFTVIYTFEALIKILARGFCLNEFTYLRDPWNWLDFSVITLA... |
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