instruction stringclasses 8
values | input stringlengths 16 761 | output stringlengths 112 280 |
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Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: N[C@@H](CC(N)=O)C(O)=O | This approved drug compound targets the protein with sequence: MVADPPRDSKGLAAAEPTANGGLALASIEDQGAAAGGYCGSRDQVRRCLRANLLVLLTVVAVVAGVALGLGVSGAGGALALGPERLSAFVFPGELLLRLLRMIILPLVVCSLIGGAASLDPGALGRLGAWALLFFLVTTLLASALGVGLALALQPGAASAAINASVGAAGSAENAPSKEVLDSFLDLARNIFPSNLVSAA... |
What is the biological target of this clinically approved compound? | Drug SMILES: CN(C)CCCN1C2=CC=CC=C2SC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYV... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12 | This approved drug compound targets the protein with sequence: MVSAKKVPAIALSAGVSFALLRFLCLAVCLNESPGQNQKEEKLCTENFTRILDSLLDGYDNRLRPGFGGPVTEVKTDIYVTSFGPVSDVEMEYTMDVFFRQTWIDKRLKYDGPIEILRLNNMMVTKVWTPDTFFRNGKKSVSHNMTAPNKLFRIMRNGTILYTMRLTISAECPMRLVDFPMDGHACPLKFGSYAYPKSEM... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CC#C[C@@]1(O)CC[C@@]2(CCO)c3ccc(O)cc3CC[C@@H]2C1
Protein sequence: MRLILLGAPGAGKGTQANYIREKFGIPQISTGDMLRAAVKAGTPLGLEAKAIMDAGGLVRDDIIIGLVKERIAQDDCANGFLFDGFPRTIPQAEAMIAAGVDIDYVVEIDVPDAAIVERMAGRRVHLASGRTYHVTFNPPKAAGKDDVTGEDLVQRDDDKEETVKKRLAVYHEQTAVLVGFYGKLAESGSAKAPKYVKID... | Yes, this compound binds to the given protein target. The SMILES structure CC#C[C@@]1(O)CC[C@@]2(CCO)c3ccc(O)cc3CC[C@@H]2C1 has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | 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: MNRLAVEIPGLSLKNPIMPASGCFGFGQEYSKYYDLNELGAIMAKAVTPEPRLGNPTPRVAETASGMLNAIGLQNPGLEHVLAHELPFLEQFETPIIANVAGATEDDYVQVCARIGESKAVKAIELNISCPNVKHGGIAFGTDPDVAHRLTKAVKNVATVPVYVKLSPNVADIVSIAQAIEAAGADGLTMINTLLGMRID... | 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. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MANFTPVNGSSGNQSVRLVTSSSHNRYETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGAFSMNLYTVYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTA... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: O=C(O)C1=CC(C2CC2)c2nc(N3CC/C(=N\O)C3)c(F)cc2C1=O
Protein sequence: MSALTIFADNGASEPLWQSTDADAIREQLNAQGVRFERWQADRDLGDDPTPEAVLTAYQHAIDLLVAEKGYQSWDVISMRADNPQKEALRGKFLNEHTHGEDEVRFFVEGAGLFCLHIGDKVYQVLCEKNDLISVPAGTPHWFDMGSEPHFTAIRIFDNPEGWIANFTGSPIAEAYPRLA | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)C1=CC(C2CC2)c2nc(N3CC/C(=N\O)C3)c(F)cc2C1=O has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC | This approved drug compound targets the protein with sequence: MNPTLILAAFCLGIASATLTFDHSLEAQWTKWKAMHNRLYGMNEEGWRRAVWEKNMKMIELHNQEYREGKHSFTMAMNAFGDMTSEEFRQVMNGFQNRKPRKGKVFQEPLFYEAPRSVDWREKGYVTPVKNQGQCGSCWAFSATGALEGQMFRKTGRLISLSEQNLVDCSGPQGNEGCNGGLMDYAFQYVQDNGGLDSEE... |
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: MSNDNSVNINNFSSMNGGGGGSDIQFPLKPSQQQQQQQQNSINQSTIRTLEITQELRYEIDFDQNGWMKLIEGTAECFGTELSLNKVYKLSGTKGAVFTWTGCKIEITNNCQPYIGEKTPMPQYAGVYQELDAFRVSILDEPKKSGPRVIIVGPTDSGKSSLSKILLAYSARSGYQPLFVDLDPGQGSITIPGTISAAHI... | 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: 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: MIKIAVAGGVTGGHLYPALATLNELQKITPIDVLYFTVKGKLEEKVLKDYNFKTVSLDVKGLIRPLYSFGNIKRILKILNAKNIVKKALKDFKPDIAFVTGGYVSYPVGVTAKQLGFLLYIHEQNVIPGLTNLKLSKIADKVFVSFESSKKYFEREVFVSGNPIFIHQKKLLNFDKKTVLIIGGSGGSEFLNELACKLAK... | 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. |
What is the biological target of this clinically approved compound? | Drug SMILES: CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1 | This approved drug compound targets the protein with sequence: METTPLNSQKQLSACEDGEDCQENGVLQKVVPTPGDKVESGQISNGYSAVPSPGAGDDTRHSIPATTTTLVAELHQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSC... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl | This approved drug compound targets the protein with sequence: MLPPGSNGTAYPGQFALYQQLAQGNAVGGSAGAPPLGPSQVVTACLLTLLIIWTLLGNVLVCAAIVRSRHLRANMTNVFIVSLAVSDLFVALLVMPWKAVAEVAGYWPFGAFCDVWVAFDIMCSTASILNLCVISVDRYWAISRPFRYKRKMTQRMALVMVGLAWTLSILISFIPVQLNWHRDQAASWGGLDLPNNLANW... |
What is the biological target of this clinically approved compound? | Drug SMILES: OC1(N2CCN=C2C2=CC=CC=C12)C1=CC=C(Cl)C=C1 | This approved drug compound targets the protein with sequence: MALSELALVRWLQESRRSRKLILFIVFLALLLDNMLLTVVVPIIPSYLYSIKHEKNATEIQTARPVHTASISDSFQSIFSYYDNSTMVTGNATRDLTLHQTATQHMVTNASAVPSDCPSEDKDLLNENVQVGLLFASKATVQLITNPFIGLLTNRIGYPIPIFAGFCIMFVSTIMFAFSSSYAFLLIARSLQGIGSSCSS... |
Does the following compound bind to the given protein target? | Compound SMILES: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MCFNQRILIGSISTEQLNKTIVIIGWIKRIKKLGEINFIIVGDKSGTIQVTCKDKEQIQQLTREDIVIVKAKLQRLDSVRFELINPTIKLFSKSKTPPLIIEDETDALEEVRLKYRYLDLRRRLMQKRLLLRHQFILAIRNWFNQQGFIEIETPTLSKSTPEGAQDFLVPARIRKDCFYALVQSPQIYKQLLMIAGVEKY... | 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: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1csc([C@H](CC(C)C)NC(=O)OCc2ccccc2)n1
Protein sequence: MDEDGGGEGGGVPEDLSLEEREELLDIRRRKKELIDDIERLKYEIAEVMTEIDNLTSVEESKTTQRNKQIAMGRKKFNMDPKKGIQFLIENDLLQSSPEDVAQFLYKGEGLNKTVIGDYLGERDEFNIKVLQAFVELHEFADLNLVQALRQFLWSFRLPGEAQKIDRMMEAFASRYCLCNPGVFQSTDTCYVLSFAIIML... | Yes, this compound binds to the given protein target. The SMILES structure CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1csc([C@H](CC(C)C)NC(=O)OCc2ccccc2)n1 has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 | This approved drug compound targets the protein with sequence: MAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIVAIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRVGADAEAQRCHSNPRCCAFAS... |
What is the biological target of this clinically approved compound? | Drug SMILES: C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O | This approved drug compound targets the protein with sequence: MEALMARGALTGPLRALCLLGCLLSHAAAAPSPIIKFPGDVAPKTDKELAVQYLNTFYGCPKESCNLFVLKDTLKKMQKFFGLPQTGDLDQNTIETMRKPRCGNPDVANYNFFPRKPKWDKNQITYRIIGYTPDLDPETVDDAFARAFQVWSDVTPLRFSRIHDGEADIMINFGRWEHGDGYPFDGKDGLLAHAFAPGTG... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | 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: MPMTLGYWNIRGLAHSIRLLLEYTDSSYEEKKYTMGDAPDYDRSQWLNEKFKLGLDFPNLPYLIDGTHKITQSNAILRYIARKHNLCGESEKEQIREDILENQFMDSRMQLAKLCYDPDFEKLKPEYLQALPEMLKLYSQFLGKQPWFLGDKITFVDFIAYDVLERNQVFEPSCLDAFPNLKDFISRFEGLEKISAYMKS... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1 | This approved drug compound targets the protein with sequence: MRKSPGLSDCLWAWILLLSTLTGRSYGQPSLQDELKDNTTVFTRILDRLLDGYDNRLRPGLGERVTEVKTDIFVTSFGPVSDHDMEYTIDVFFRQSWKDERLKFKGPMTVLRLNNLMASKIWTPDTFFHNGKKSVAHNMTMPNKLLRITEDGTLLYTMRLTVRAECPMHLEDFPMDAHACPLKFGSYAYTRAEVVYEWTR... |
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: MTSSLQRPWRVPWLPWTILLVSTAAASQNQERLCAFKDPYQQDLGIGESRISHENGTILCSKGSTCYGLWEKSKGDINLVKQGCWSHIGDPQECHYEECVVTTTPPSIQNGTYRFCCCSTDLCNVNFTENFPPPDTTPLSPPHSFNRDETIIIALASVSVLAVLIVALCFGYRMLTGDRKQGLHSMNMMEAAASEPSLDL... |
Identify the protein target for the following approved drug compound. | Drug SMILES: N[C@@H](CS)C(O)=O | This approved drug compound targets the protein with sequence: MADSEALPSLAGDPVAVEALLRAVFGVVVDEAIQKGTSVSQKVCEWKEPEELKQLLDLELRSQGESQKQILERCRAVIRYSVKTGHPRFFNQLFSGLDPHALAGRIITESLNTSQYTYEIAPVFVLMEEEVLRKLRALVGWSSGDGIFCPGGSISNMYAVNLARYQRYPDCKQRGLRTLPPLALFTSKECHYSIQKGAAF... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MSSKKAKTKTTKKRPQRATSNVFAMFDQSQIQEFKEAFNMIDQNRDGFIDKEDLHDMLASLGKNPTDAYLDAMMNEAPGRINFTMFLTMFGEKLNGTDPEDVIRNAFACFDEEATGTIQEDYLRELLTTMGDRFTDEEVDELYREAPIDKKGNFNYIEFTRILKHGAKDKDD | 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: C[N+]1=C(\C=N\O)C=CC=C1 | This approved drug compound targets the protein with sequence: MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPG... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MFRGGEKMRQIPKEVIEEVERLREEIEYHNYRYYVLNDPVITDEEYDRLMRRLIELERMYPELVTPDSPTQRVGGKVLEGFKTVKHSVPMLSLDNTYNEEEIIEFDKRVKKTLQESEVEYVAELKIDGVSIALRYENGRFVLGATRGDGVEGEDVSENVKTIRSVPLRLRKPLTIEVRGEIYMPVDEFKRLNEEREEEGL... | 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: [H][C@@]12CC3=C(C=C(O)C=C3)[C@]3(CCCC[C@@]13O)CCN2CC1CCC1 | This approved drug compound targets the protein with sequence: MEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCML... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MEPYSEDSILALTEKVFKISGYRFQDHELLKTAVTHPSIAAERYASYERLEFLGDAVLGLVVSEMLYTLFPDDSEGLLTKKRIALVRGSKVVEIAQSLNLGNILLMSKGELTSGGISNNSNLENALEALIGAIYVDGGLESVRHFILQHWKPLATNLADTPLQDAKTALQEWAQGHNFAIPSYRLINKSGLEHAPVFTVE... | Yes, this compound binds to the given protein target. The SMILES structure c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1 has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O
Protein sequence: MKAEFDKELIKKYDRPGPRYTSYPPATEFTEEVKEDEYVKRLIKSNERKTPLSLYFHIPFCEQRCLYCGCNVIISHRKGIEEPYLERVCREMDLVSQYLDKDRKVIQLHWGGGTPNYLSPEQIKWFMEEIRKRFEFGDNAEISIELDPRYLTDEQIKAIKDAGFNRISLGVQDLDPKVQQAVNRVQPYELIKEKMEKLRE... | Yes, this compound binds to the given protein target. The SMILES structure COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: 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: MKDYDELLKYYELHETIGTGGFAKVKLACHILTGEMVAIKIMDKNTLGSDLPRIKTEIEALKNLRHQHICQLYHVLETANKIFMVLEYCPGGELFDYIISQDRLSEEETRVVFRQIVSAVAYVHSQGYAHRDLKPENLLFDEYHKLKLIDFGLCAKPKGNKDYHLQTCCGSLAYAAPELIQGKSYLGSEADVWSMGILLY... |
Does the following compound bind to the given protein target? | Compound SMILES: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MSKLQDVIVQEMKVKKRIDSAEEIMELKQFIKNYVQSHSFIKSLVLGISGGQDSTLVGKLVQMSVNELREEGIDCTFIAVKLPYGVQKDADEVEQALRFIEPDEIVTVNIKPAVDQSVQSLKEAGIVLTDFQKGNEKARERMKVQFSIASNRQGIVVGTDHSAENITGFYTKYGDGAADIAPIFGLNKRQGRQLLAYLGA... | 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: O.O.[Ca++].OP([O-])([O-])=O | This approved drug compound targets the protein with sequence: MGKSNSKLKPEVVEELTRKTYFTEKEVQQWYKGFIKDCPSGQLDAAGFQKIYKQFFPFGDPTKFATFVFNVFDENKDGRIEFSEFIQALSVTSRGTLDEKLRWAFKLYDLDNDGYITRNEMLDIVDAIYQMVGNTVELPEEENTPEKRVDRIFAMMDKNADGKLTLQEFQEGSKADPSIVQALSLYDGLV |
Identify the protein target for the following approved drug compound. | Drug SMILES: CN1C2=C(C=C(Cl)C=C2)N(C2=CC=CC=C2)C(=O)CC1=O | This approved drug compound targets the protein with sequence: MGPLKAFLFSPFLLRSQSRGVRLVFLLLTLHLGNCVDKADDEDDEDLTVNKTWVLAPKIHEGDITQILNSLLQGYDNKLRPDIGVRPTVIETDVYVNSIGPVDPINMEYTIDIIFAQTWFDSRLKFNSTMKVLMLNSNMVGKIWIPDTFFRNSRKSDAHWITTPNRLLRIWNDGRVLYTLRLTINAECYLQLHNFPMDEH... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CS(=O)(=O)c1ccc(C2=C(c3cc4ccccc4s3)C(=O)CC2)cc1
Protein sequence: MTAEALSSGELKAIRPYPARTGPKGNLVYKLITTTDHKMIGIMYCVACFIFFFVGGLLALLMRTELAAPGLQFLSNEQFNQLFTMHGTIMLLFYATPIVFGFANLVLPLQIGAPDVAFPRLNAFSFWLFLFGAAIGMAGFITPGGAADFGWTAYTPLTDAIHSPGVGGDLWIMGLIVAGLGTILGAVNMITTVVCLRAPG... | 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. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1 | This approved drug compound targets the protein with sequence: MGTSHPAFLVLGCLLTGLSLILCQLSLPSILPNENEKVVQLNSSFSLRCFGESEVSWQYPMSEEESSDVEIRNEENNSGLFVTVLEVSSASAAHTGLYTCYYNHTQTEENELEGRHIYIYVPDPDVAFVPLGMTDYLVIVEDDDSAIIPCRTTDPETPVTLHNSEGVVPASYDSRQGFNGTFTVGPYICEATVKGKKFQT... |
What is the biological target of this clinically approved compound? | Drug SMILES: CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O | This approved drug compound targets the protein with sequence: MFSKLAHLQRFAVLSRGVHSSVASATSVATKKTVQGPPTSDDIFEREYKYGAHNYHPLPVALERGKGIYLWDVEGRKYFDFLSSYSAVNQGHCHPKIVNALKSQVDKLTLTSRAFYNNVLGEYEEYITKLFNYHKVLPMNTGVEAGETACKLARKWGYTVKGIQKYKAKIVFAAGNFWGRTLSAISSSTDPTSYDGFGPF... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)O
Protein sequence: MASLSEFVSEPISMMSQTSAASESQCYYNETIAFFYNRSGKYLATEWNAVSKLVMGLGITVCIFIMLANLLVMVAIYVNRRFHFPIYYLMANLAAADFFAGLAYFYLMFNTGPNTRRLTVSTWLLRQGLIDTSLTASVANLLAIAIERHITVFRMQLHTRMSNRRVVVVIVVIWTVAIVMGAIPSVGWNCICDLEQCSNM... | Yes, this compound binds to the given protein target. The SMILES structure COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)O has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: FC(F)OC(F)(F)C(F)Cl | This approved drug compound targets the protein with sequence: MSTLSNFTQTLEDVFRRIFITYMDNWRQNTTAEQEALQAKVDAENFYYVILYLMVMIGMFSFIIVAILVSTVKSKRREHSNDPYHQYIVEDWQEKYKSQILNLEESKATIHENIGAAGFKMSP |
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: MADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O | This approved drug compound targets the protein with sequence: MVNLRNAVHSFLVHLIGLLVWQSDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKV... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: EQQRYLNAKKYVKLVLVADYIMYLKYGRSLTTLRTRMYDIVNIINLIFQRMNIHVALVGLEIWSNRDKIIVQSSADVTLDLFAKWRETDLLKRKSHDNAQLLTGINFNGPTAGLAYLSGICKPMYSAGIVQDHNKVHHLVAIAMAHEMGHNLGMDHDKDTCTCGARSCVMAGTLSCEPSYLFSDCSRRGHRAFLIKDMPQ... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CNCC[S+]([O-])CP(=O)(O)O has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: CCN(CC)C(=O)C1(CC1CN)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: METTPLNSQKQLSACEDGEDCQENGVLQKVVPTPGDKVESGQISNGYSAVPSPGAGDDTRHSIPATTTTLVAELHQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSC... |
Identify the protein target for the following approved drug compound. | Drug SMILES: [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O | This approved drug compound targets the protein with sequence: MSDCYTELEKAVIVLVENFYKYVSKYSLVKNKISKSSFREMLQKELNHMLSDTGNRKAADKLIQNLDANHDGRISFDEYWTLIGGITGPIAKLIHEQEQQSSS |
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: MAATGTAAAAATGRLLLLLLVGLTAPALALAGYIEALAANAGTGFAVAEPQIAMFCGKLNMHVNIQTGKWEPDPTGTKSCFETKEEVLQYCQEMYPELQITNVMEANQRVSIDNWCRRDKKQCKSRFVTPFKCLVGEFVSDVLLVPEKCQFFHKERMEVCENHQHWHTVVKEACLTQGMTLYSYGMLLPCGVDQFHGTEY... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CCc1ccc(CCOc2ccc(CC(C(=O)OC)C(=O)OC)cc2)nc1
Protein sequence: MVQPHVLLVTFPAQGHINPSLQFAKRLIEMGIEVTFTTSVFAHRRMAKIAASTAPKGLNLAAFSDGFDDGFKSNVDDSKRYMSEIRSRGSQTLRDVILKSSDEGRPVTSLVYTLLLPWAAEVARELHIPSALLWIQPATVLDIYYYYFNGYEDEMKCSSSNDPNWSIQLPRLPLLKSQDLPSFLVSSSSKDDKYSFALPT... | Yes, this compound binds to the given protein target. The SMILES structure CCc1ccc(CCOc2ccc(CC(C(=O)OC)C(=O)OC)cc2)nc1 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: MEPFKYICHYWGKSSKSLTKGNDIHLLIYHCLDVAAVADCWWDQSVVLQNTFCRNEMLSKQRVKAWLLFFIALHDIGKFDIRFQYKSAESWLKLNPATPSLNGPSTQMCRKFNHGAAGLYWFNQDSLSEQSLGDFFSFFDAAPHPYESWFPWVEAVTGHHGFILHSQDQDKSRWEMPASLASYAAQDKQAREEWISVLEA... | 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: CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC | This approved drug compound targets the protein with sequence: MDKLDANVSSEEGFGSVEKVVLLTFLSTVILMAILGNLLVMVAVCWDRQLRKIKTNYFIVSLAFADLLVSVLVMPFGAIELVQDIWIYGEVFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPTFISFLPIMQGWNNIGIIDLIEKRKFNQNSNSTYCVFMVNKPYAITCSVVA... |
What is the biological target of this clinically approved compound? | Drug SMILES: COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC | This approved drug compound targets the protein with sequence: MASSSGSKAEFIVGGKYKLVRKIGSGSFGDIYLAINITNGEEVAVKLESQKARHPQLLYESKLYKILQGGVGIPHIRWYGQEKDYNVLVMDLLGPSLEDLFNFCSRRFTMKTVLMLADQMISRIEYVHTKNFIHRDIKPDNFLMGIGRHCNKLFLIDFGLAKKYRDNRTRQHIPYREDKNLTGTARYASINAHLGIEQSR... |
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: MEGAALLRVSVLCIWMSALFLGVGVRAEEAGARVQQNVPSGTDTGDPQSKPLGDWAAGTMDPESSIFIEDAIKYFKEKVSTQNLLLLLTDNEAWNGFVAAAELPRNEADELRKALDNLARQMIMKDKNWHDKGQQYRNWFLKEFPRLKSELEDNIRRLRALADGVQKVHKGTTIANVVSGSLSISSGILTLVGMGLAPFT... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: COC(=O)CC[C@@H]1N=C(C2=CC=CC=N2)C2=CC(Br)=CC=C2N2C(C)=CN=C12 | This approved drug compound targets the protein with sequence: MDNGMFSGFIMIKNLLLFCISMNLSSHFGFSQMPTSSVKDETNDNITIFTRILDGLLDGYDNRLRPGLGERITQVRTDIYVTSFGPVSDTEMEYTIDVFFRQSWKDERLRFKGPMQRLPLNNLLASKIWTPDTFFHNGKKSIAHNMTTPNKLLRLEDDGTLLYTMRLTISAECPMQLEDFPMDAHACPLKFGSYAYPNSE... |
What is the biological target of this clinically approved compound? | Drug SMILES: N[C@@H](CCC(O)=O)C(O)=O | This approved drug compound targets the protein with sequence: MRIISRQIVLLFSGFWGLAMGAFPSSVQIGGLFIRNTDQEYTAFRLAIFLHNTSPNASEAPFNLVPHVDNIETANSFAVTNAFCSQYSRGVFAIFGLYDKRSVHTLTSFCSALHISLITPSFPTEGESQFVLQLRPSLRGALLSLLDHYEWNCFVFLYDTDRGYSILQAIMEKAGQNGWHVSAICVENFNDVSYRQLLEE... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MAAALLLYLPLLPGLAGAFNLDAENVIGRRGEPGSLFGFSLAMHRQLQPQEKRLLLVGAPREKAFPSQQANRTGGLYSCDITSSDTRCTRVVFDEDTDPKMESKEDQWMGVTVQSQGPGGNVVTCAHRYEKRQYVNTVQETRDIIGRCYVLSQDLTIKDDMDNGVWSFCDGRLRGHEKFGSCQQGVAATFTRDYHYIVFG... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CNCC[S+]([O-])CP(=O)(O)O has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MGYLNSVLSSSSQVHSDDGPVSGGGLSQNGKFSYGYASSPGKRSSMEDFYETRIDGVEGEIVGLFGVFDGHGGARAAEYVKQNLFSNLIRHPKFISDTTAAIADAYNQTDSEFLKSENSQNRDAGSTASTAILVGDRLLVANVGDSRAVICRGGNAIAVSRDHKPDQSDERQRIEDAGGFVMWAGTWRVGGVLAVSRAFG... | 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: C[C@@H](O)[C@H](N)C(O)=O | This approved drug compound targets the protein with sequence: MFEEKASSPSGKMGGEEKPIGAGEEKQKEGGKKKNKEGSGDGGRAELNPWPEYIYTRLEMYNILKAEHDSILAEKAEKDSKPIKVTLPDGKQVDAESWKTTPYQIACGISQGLADNTVIAKVNNVVWDLDRPLEEDCTLELLKFEDEEAQAVYWHSSAHIMGEAMERVYGGCLCYGPPIENGFYYDMYLEEGGVSSNDFS... |
Does the following compound bind to the given protein target? | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MARDKIALIGSGQIGGTLAHMIGLKELGDVVLFDIAEGVPQGKALDIAESSPVDGFDAKFTGANSYEAIEGASVVIVTAGVPRKPGMSRDDLLSINLKVMEQVGAGIKKYAPDAFVICITNPLDAMVWALQKASGMPAKKVVGMAGVLDSARFRYFLADEFNVSVEDVTAFVLGGHGDTMVPLVKYSTVAGIPLPDLVKI... | Yes, this compound binds to the given protein target. The SMILES structure COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 has documented binding affinity with the specified peptide sequence. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: COC1=C(OCC2CCN(C)CC2)C=C2N=CN=C(NC3=C(F)C=C(Br)C=C3)C2=C1 | This approved drug compound targets the protein with sequence: MVSRDQAHLGPKYVGLWDFKSRTDEELSFRAGDVFHVARKEEQWWWATLLDEAGGAVAQGYVPHNYLAERETVESEPWFFGCISRSEAVRRLQAEGNATGAFLIRVSEKPSADYVLSVRDTQAVRHYKIWRRAGGRLHLNEAVSFLSLPELVNYHRAQSLSHGLRLAAPCRKHEPEPLPHWDDWERPREEFTLCRKLGSG... |
Identify the protein target for the following approved drug compound. | Drug SMILES: FC(F)OC(F)C(F)(F)F | This approved drug compound targets the protein with sequence: MDNGMFSGFIMIKNLLLFCISMNLSSHFGFSQMPTSSVKDETNDNITIFTRILDGLLDGYDNRLRPGLGERITQVRTDIYVTSFGPVSDTEMEYTIDVFFRQSWKDERLRFKGPMQRLPLNNLLASKIWTPDTFFHNGKKSIAHNMTTPNKLLRLEDDGTLLYTMRLTISAECPMQLEDFPMDAHACPLKFGSYAYPNSE... |
What is the biological target of this clinically approved compound? | Drug SMILES: CCC(=O)N(C1=CC=CC=C1)C1(COC)CCN(CCC2=CC=CS2)CC1 | This approved drug compound targets the protein with sequence: MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTK... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CC(CC1=CC=C(O)C=C1)NCC(O)C1=CC(O)=CC(O)=C1 | This approved drug compound targets the protein with sequence: MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYANETCCDFFTNQAYA... |
Identify the protein target for the following approved drug compound. | Drug SMILES: CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC | This approved drug compound targets the protein with sequence: MLLWVQQALLALLLPTLLAQGEARRSRNTTRPALLRLSDYLLTNYRKGVRPVRDWRKPTTVSIDVIVYAILNVDEKNQVLTTYIWYRQYWTDEFLQWNPEDFDNITKLSIPTDSIWVPDILINEFVDVGKSPNIPYVYIRHQGEVQNYKPLQVVTACSLDIYNFPFDVQNCSLTFTSWLHTIQDINISLWRLPEKVKSDR... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: N[C@H](CO)C(O)=O | This approved drug compound targets the protein with sequence: MYSFNTLRLYLWETIVFFSLAASKEAEAARSAPKPMSPSDFLDKLMGRTSGYDARIRPNFKGPPVNVSCNIFINSFGSIAETTMDYRVNIFLRQQWNDPRLAYNEYPDDSLDLDPSMLDSIWKPDLFFANEKGAHFHEITTDNKLLRISRNGNVLYSIRITLTLACPMDLKNFPMDVQTCIMQLESFGYTMNDLIFEWQE... |
Does the following compound bind to the given protein target? | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MKFSELWLREWVNPAIDSDALANQITMAGLEVDGVEPVAGSFHGVVVGEVVECAQHPNADKLRVTKVNVGGDRLLDIVCGAPNCRQGLRVAVATIGAVLPGDFKIKAAKLRGEPSEGMLCSFSELGISDDHNGIIELPADAPIGTDIREYLKLDDNTIEISVTPNRADCLGIIGVARDVAVLNQLPLVEPEIVPVGATID... | 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: C[C@H](N)[C@H](O)C1=CC(O)=C(O)C=C1 | This approved drug compound targets the protein with sequence: MDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQGPQPRGRPQCKLNQEAWYILASSIGSFFAPCLIMILVYLRIYLIAK... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: NC(=O)N1C2=CC=CC=C2CC(=O)C2=C1C=CC=C2 | This approved drug compound targets the protein with sequence: MAMLPPPGPQSFVHFTKQSLALIEQRIAERKSKEPKEEKKDDDEEAPKPSSDLEAGKQLPFIYGDIPPGMVSEPLEDLDPYYADKKTFIVLNKGKTIFRFNATPALYMLSPFSPLRRISIKILVHSLFSMLIMCTILTNCIFMTMNNPPDWTKNVEYTFTGIYTFESLVKILARGFCVGEFTFLRDPWNWLDFVVIVFAY... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2 | This approved drug compound targets the protein with sequence: MEQTVLVPPGPDSFNFFTRESLAAIERRIAEEKAKNPKPDKKDDDENGPKPNSDLEAGKNLPFIYGDIPPEMVSEPLEDLDPYYINKKTFIVLNKGKAIFRFSATSALYILTPFNPLRKIAIKILVHSLFSMLIMCTILTNCVFMTMSNPPDWTKNVEYTFTGIYTFESLIKIIARGFCLEDFTFLRDPWNWLDFTVITF... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: NC[C@H](O)C1=CC(O)=C(O)C=C1 | This approved drug compound targets the protein with sequence: MAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIVAIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRVGADAEAQRCHSNPRCCAFAS... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CCN1C(=O)C(=CC2=C1C=C(NC)N=C2)C1=C(Br)C=C(F)C(NC(=O)NC2=CC=CC=C2)=C1 | This approved drug compound targets the protein with sequence: MRLPGAMPALALKGELLLLSLLLLLEPQISQGLVVTPPGPELVLNVSSTFVLTCSGSAPVVWERMSQEPPQEMAKAQDGTFSSVLTLTNLTGLDTGEYFCTHNDSRGLETDERKRLYIFVPDPTVGFLPNDAEELFIFLTEITEITIPCRVTDPQLVVTLHEKKGDVALPVPYDHQRGFSGIFEDRSYICKTTIGDREVD... |
What is the biological target of this clinically approved compound? | Drug SMILES: N[C@@H](CCC(O)=O)C(O)=O | This approved drug compound targets the protein with sequence: MARQKKMGQSVLRAVFFLVLGLLGHSHGGFPNTISIGGLFMRNTVQEHSAFRFAVQLYNTNQNTTEKPFHLNYHVDHLDSSNSFSVTNAFCSQFSRGVYAIFGFYDQMSMNTLTSFCGALHTSFVTPSFPTDADVQFVIQMRPALKGAILSLLGHYKWEKFVYLYDTERGFSILQAIMEAAVQNNWQVTARSVGNIKDVQ... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CCCC(CCC)C(O)=O | This approved drug compound targets the protein with sequence: MATCIWLRSCGARRLGSTFPGCRLRPRAGGLVPASGPAPGPAQLRCYAGRLAGLSAALLRTDSFVGGRWLPAAATFPVQDPASGAALGMVADCGVREARAAVRAAYEAFCRWREVSAKERSSLLRKWYNLMIQNKDDLARIITAESGKPLKEAHGEILYSAFFLEWFSEEARRVYGDIIHTPAKDRRALVLKQPIGVAAV... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: ClC1=CC2=C(C=C1)N(CC1CC1)C(=O)CN=C2C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MNYSLHLAFVCLSLFTERMCIQGSQFNVEVGRSDKLSLPGFENLTAGYNKFLRPNFGGEPVQIALTLDIASISSISESNMDYTATIYLRQRWMDQRLVFEGNKSFTLDARLVEFLWVPDTYIVESKKSFLHEVTVGNRLIRLFSNGTVLYALRITTTVACNMDLSKYPMDTQTCKLQLESWGYDGNDVEFTWLRGNDSVR... |
Does the following compound bind to the given protein target? | Compound SMILES: COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C
Protein sequence: MEDGPSNNASCFRRLTECFLSPSLTDEKVKAYLSLHPQVLDEFVSESVSAETVEKWLKRKNNKAEDEPSPKEVSRYQDTNMQGVVYELNSYIEQRLDTGGDNHLLLYELSSIIRIATKADGFALYFLGECNNSLCVFTPPGMKEGQPRLIPAGPITQGTTISAYVAKSRKTLLVEDILGDERFPRGTGLESGTRIQSVLC... | 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. |
Does the following compound bind to the given protein target? | 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: MRYLTAGESHGLSLTAIIEGIPAGLTLHPADIDHELQRRQGGYGRGARMSIETDRVQISSGVRHGKTTGAPITLTVINKDHQKWLDVMAVGDIEETLKLKRRVKHPRPGHADLVGGIKYHFNDLRDALERSSARETTMRVAVGAVAKRILAELGIDMLHHILIFGGITITIPSKLSFRELQERALHSELSIVNPKQEEEI... | 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. |
Does the following compound bind to the given protein target? | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MSCKSNTLAKNYTNHPLRINEIHLPWKPTIPNTHYEFVRAQVVDLLNELGLCEDKKERDRRDGVIMLASYMYPEAGPQELLFGTMYVLWLFFFDDIFDESKFLKEECNQAAERSLHIFRTGKAPEKNAKLNFSIVQLEDLLLRIFAMANDLAKSSDITARFMKSCEIYFVDGAVPMENFRQMKTLPKLEEYLAVRTIDGG... | 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: COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O
Protein sequence: MLYCRQGFEKECAGEIQDKATQLEVYGFPRVFKNAGYVLFECYQDGDADKLARELDFNALIFARQMFAVAAEFTELPSEDRISPILAELGEIDAFPVCGDLRIETPDTNEAKELLKFCRKFTVPMRQALRGKGLLLAKENAKKPVFHLCFVASGHCFAGYSYSHNNSRFFMGIPRLKFPADAPSRSTLKLEEAFHVFIPR... | Yes, this compound binds to the given protein target. The SMILES structure COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: CS(=O)(=O)C1=CC(Cl)=C(C=C1)C(=O)NC1=CC=C(Cl)C(=C1)C1=CC=CC=N1 | This approved drug compound targets the protein with sequence: MAAARPARGPELPLLGLLLLLLLGDPGRGAASSGNATGPGPRSAGGSARRSAAVTGPPPPLSHCGRAAPCEPLRYNVCLGSVLPYGATSTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDRFPEGCTNEVQNIKFNSSGQCEVPLVRT... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: FC(F)OC(F)C(F)(F)F | This approved drug compound targets the protein with sequence: MWTVQNRESLGLLSFPVMITMVCCAHSTNEPSNMSYVKETVDRLLKGYDIRLRPDFGGPPVDVGMRIDVASIDMVSEVNMDYTLTMYFQQSWKDKRLSYSGIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWNGGEGAV... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MQQSPHSLQSQSLFASAVDSAVPLSNLQQTYAVIPRERPYTPLLDRVDSPADLKAFSTADLIALADELRLFVLYSAGQSGGHFGANLGVIELTIALHYLLDAPQDQIVWDVGHQAYAHKVLTGRRDRLGTIRSKAGLTAFPERAESVYDTFGVGHSSTSISAGLGMSLALRYQGRAQTVACIIGDGAMTGGMAFEAMNDA... | 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: COc1cccc2c1CCN(CCCc1c[nH]c3ccc(F)cc13)C2
Protein sequence: MTLTALNAISPIDGRYVNKTRALSPYFSEFALTYYRLMVEIKWFESLAANDTIPEVPALDNKARKFLSDLISNFNESEAEKIKEFEKQTNHDVKAVEYYLKDKFQENEQLKSCVAFIHFACTSEDINNLAYALMIKQAIAQVIQPTIAEIMGSITLLGKQHADVAMLSRTHGQPATPTTMGKELVNFVARLKRPQQQLAE... | Yes, this compound binds to the given protein target. The SMILES structure COc1cccc2c1CCN(CCCc1c[nH]c3ccc(F)cc13)C2 has documented binding affinity with the specified peptide sequence. |
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: MSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIY... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H]C(Cl)(Br)C(F)(F)F | This approved drug compound targets the protein with sequence: MNYSLHLAFVCLSLFTERMCIQGSQFNVEVGRSDKLSLPGFENLTAGYNKFLRPNFGGEPVQIALTLDIASISSISESNMDYTATIYLRQRWMDQRLVFEGNKSFTLDARLVEFLWVPDTYIVESKKSFLHEVTVGNRLIRLFSNGTVLYALRITTTVACNMDLSKYPMDTQTCKLQLESWGYDGNDVEFTWLRGNDSVR... |
What is the biological target of this clinically approved compound? | Drug SMILES: N[C@@H](CCC(O)=O)C(O)=O | This approved drug compound targets the protein with sequence: MWNLLHETDSAVATARRPRWLCAGALVLAGGFFLLGFLFGWFIKSSNEATNITPKHNMKAFLDELKAENIKKFLYNFTQIPHLAGTEQNFQLAKQIQSQWKEFGLDSVELAHYDVLLSYPNKTHPNYISIINEDGNEIFNTSLFEPPPPGYENVSDIVPPFSAFSPQGMPEGDLVYVNYARTEDFFKLERDMKINCSGKI... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C | This approved drug compound targets the protein with sequence: MAEKAPPGLNRKTSRSTLSLPPEPVDIIRSKTCSRRVKINVGGLNHEVLWRTLDRLPRTRLGKLRDCNTHESLLEVCDDYNLNENEYFFDRHPGAFTSILNFYRTGKLHMMEEMCALSFGQELDYWGIDEIYLESCCQARYHQKKEQMNEELRREAETMREREGEEFDNTCCPDKRKKLWDLLEKPNSSVAAKILAIVSI... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: FC(F)OC(F)(F)C(F)Cl | This approved drug compound targets the protein with sequence: MGRVGYWTLLVLPALLVWRGPAPSAAAEKGPPALNIAVMLGHSHDVTERELRTLWGPEQAAGLPLDVNVVALLMNRTDPKSLITHVCDLMSGARIHGLVFGDDTDQEAVAQMLDFISSHTFVPILGIHGGASMIMADKDPTSTFFQFGASIQQQATVMLKIMQDYDWHVFSLVTTIFPGYREFISFVKTTVDNSFVGWDM... |
Does the following compound bind to the given protein target? | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MEQFRNIGIIGRLGSSQVLDTVRRLKRFLLDRHLHVILEDTIAEVLPGHGLQTSSRKMLGEVCDMVIVVGGDGSLLGAARALAKHNIPVLGINRGSLGFLTDIRPDELEIKVAEVLDGHYLVENRFLLQAEVRRHAEAIGQGDALNDVVLHPGKSTRMIEFELYIDGQFVCSQKADGLIVATPTGSTAYALSAGGPIMHP... | 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: [Cl-].[K+] | This approved drug compound targets the protein with sequence: MEPRPTAPSSGAPGLAGVGETPSAAALAAARVELPGTAVPSVPEDAAPASRDGGGVRDEGPAAAGDGLGRPLGPTPSQSRFQVDLVSENAGRAAAAAAAAAAAAAAAGAGAGAKQTPADGEASGESEPAKGSEEAKGRFRVNFVDPAASSSAEDSLSDAAGVGVDGPNVSFQNGGDTVLSEGSSLHSGGGGGSGHHQHYY... |
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: MLTIYNTLTKSKEVFKPLDGNKVRMYVCGMTVYDYCHLGHGRSMVAFDLITRWLRFSGYDLTYVRNITDIDDKIINRANENGEAFEALTERMIAAMHEDEARLNIKKPDMEPRATDHIPGMHTMIQTLIDKGYAYAPGNGDVYYRVGKFMGYGKLSRKKIEDLRIGARIEVDESKQDPLDFVLWKAAKPGEPSWPSPWGD... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MAGLLKKIFESGKKDVKYLERKADEIIALADETAALSDEALREKTVEFKERVQKGETLDDLLVEAFAVAREGAKRALGLYPFKVQLMGGIVLHEGNIAEMKTGEGKTLTATLPVYLNALSGEGVHVVTVNEYLAHRDAEEMGVLYNFLGLSVGLNLNALSSTEKREAYACDITYSTNNELGFDYLRDNMVVYKEEMVQRP... | 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: C[N+](C)(C)CC([O-])=O | This approved drug compound targets the protein with sequence: MPPVGGKKAKKGILERLNAGEIVIGDGGFVFALEKRGYVKAGPWTPEAAVEHPEAVRQLHREFLRAGSNVMQTFTFYASEDKLENRGNYVLEKISGQEVNEAACDIARQVADEGDALVAGGVSQTPSYLSCKSETEVKKVFLQQLEVFMKKNVDFLIAEYFEHVEEAVWAVETLIASGKPVAATMCIGPEGDLHGVPPGE... |
Identify the protein target for the following approved drug compound. | Drug SMILES: [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O | This approved drug compound targets the protein with sequence: MVNLRNAVHSFLVHLIGLLVWQSDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKV... |
Does the following compound bind to the given protein target? | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MKKGINRVVLVGTGAVGCSYAYCMINQAVAEEFVLVDVNEAKAEGEAMDLSHAVPFAPAPTRVWKGSYEDCKDADLVVITAGLPQKPGETRLDLVEKNAKIFKQIVRSIMDSGFDGIFLIATNPVDILTYVTWKESGLPKERVIGSGTTLDSARFRYMLGEYFNIGPHNIHAYIIGEHGDTELPVWSHVSVGIQKLQTLL... | 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: O=C(O)Cc1cccc2c1Cc1c-2nc(O)c2nc(-c3ccc(C(=O)O)cc3)cn12
Protein sequence: MPTLEMPVAAVLDSTVGSSEALPDFTSDRYKDAYSRINAIVIEGEQEAHDNYIAIGTLLPDHVEELKRLAKMEMRHKKGFTACGKNLGVEADMDFAREFFAPLRDNFQTALGQGKTPTCLLIQALLIEAFAISAYHTYIPVSDPFARKITEGVVKDEYTHLNYGEAWLKANLESCREELLEANRENLPLIRRMLDQVAGD... | 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: CN1C2=C(N(CC(O)CO)C=N2)C(=O)N(C)C1=O | This approved drug compound targets the protein with sequence: MEAEGSSAPARAGSGEGSDSAGGATLKAPKHLWRHEQHHQYPLRQPQFRLLHPHHHLPPPPPPSPQPQPQCPLQPPPPPPLPPPPPPPGAARGRYASSGATGRVRHRGYSDTERYLYCRAMDRTSYAVETGHRPGLKKSRMSWPSSFQGLRRFDVDNGTSAGRSPLDPMTSPGSGLILQANFVHSQRRESFLYRSDSDYD... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F | This approved drug compound targets the protein with sequence: MANGGGGGGGSSGGGGGGGGSSLRMSSNIHANHLSLDASSSSSSSSSSSSSSSSSSSSSSVHEPKMDALIIPVTMEVPCDSRGQRMWWAFLASSMVTFFGGLFIILLWRTLKYLWTVCCHCGGKTKEAQKINNGSSQADGTLKPVDEKEEAVAAEVGWMTSVKDWAGVMISAQTLTGRVLVVLVFALSIGALVIYFIDSS... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MLTYLEQKINYEFKDKTLLLEALTHSSWAHEGKNEKVSNERLEFLGDSVLSLVISEYLYKNRKDLEEGSLSKYRAEIVCEPSLARCARKIELGSFLRMGKGEEISGGRDRDSILADAMEALLAAVYLDGGLEAVRRVILDLFKEIIDEVLKGIIYRDYKTRLQEVVQSMEVGKITYELVEEIGPDHNKTFVTQVKIGDVV... | 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: CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COC1=CC=CC(=C1)C(F)(F)F | This approved drug compound targets the protein with sequence: MSMNNSKQLVSPAAALLSNTTCQTENRLSVFFSVIFMTVGILSNSLAIAILMKAYQRFRQKSKASFLLLASGLVITDFFGHLINGAIAVFVYASDKEWIRFDQSNVLCSIFGICMVFSGLCPLLLGSVMAIERCIGVTKPIFHSTKITSKHVKMMLSGVCLFAVFIALLPILGHRDYKIQASRTWCFYNTEDIKDWEDRF... |
Identify the protein target for the following approved drug compound. | Drug SMILES: COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1 | This approved drug compound targets the protein with sequence: MVNLRNAVHSFLVHLIGLLVWQSDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKV... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: FC(F)OC(F)(F)C(F)Cl | This approved drug compound targets the protein with sequence: MTMAGGRRGLVAPQNTFLENIVRRSNDTNFVLGNAQIVDWPIVYSNDGFCKLSGYHRAEVMQKSSTCSFMYGELTDKDTIEKVRQTFENYEMNSFEILMYKKNRTPVWFFVKIAPIRNEQDKVVLFLCTFSDITAFKQPIEDDSCKGWGKFARLTRALTSSRGVLQQLAPSVQKGENVHKHSRLAEVLQLGSDILPQYKQ... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MIRLGAPQSLVLLTLLIATVLQCQGQDARKLGPKGQKGEPGDIKDIIGPKGPPGPQGPAGEQGPRGDRGDKGERGAPGPRGRDGEPGTPGNPGPPGPPGPPGPPGLGGGNFAAQMAGGFDEKAGGAQMGVMQGPMGPMGPRGPPGPAGAPGPQGFQGNPGEPGEPGVSGPIGPRGPPGPAGKPGDDGEAGKPGKAGERGL... | 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: NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O | This approved drug compound targets the protein with sequence: MSKRKAPQETLNGGITDMLTELANFEKNVSQAIHKYNAYRKAASVIAKYPHKIKSGAEAKKLPGVGTKIAEKIDEFLATGKLRKLEKIRQDDTSSSINFLTRVSGIGPSAARKFVDEGIKTLEDLRKNEDKLNHHQRIGLKYFGDFEKRIPREEMLQMQDIVLNEVKKVDSEYIATVCGSFRRGAESSGDMDVLLTHPSF... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: FC(F)(F)CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MRKSPGLSDCLWAWILLLSTLTGRSYGQPSLQDELKDNTTVFTRILDRLLDGYDNRLRPGLGERVTEVKTDIFVTSFGPVSDHDMEYTIDVFFRQSWKDERLKFKGPMTVLRLNNLMASKIWTPDTFFHNGKKSVAHNMTMPNKLLRITEDGTLLYTMRLTVRAECPMHLEDFPMDAHACPLKFGSYAYTRAEVVYEWTR... |
What is the biological target of this clinically approved compound? | Drug SMILES: [Fe] | This approved drug compound targets the protein with sequence: MPEGPELHLASQFVNEACRALVFGGCVEKSSVSRNPEVPFESSAYRISASARGKELRLILSPLPGAQPQQEPLALVFRFGMSGSFQLVPREELPRHAHLRFYTAPPGPRLALCFVDIRRFGRWDLGGKWQPGRGPCVLQEYQQFRENVLRNLADKAFDRPICEALLDQRFFNGIGNYLRAEILYRLKIPPFEKARSVLEA... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12
Protein sequence: MINIRKTHPLMKIINHSFIDLPAPSNISAWWNFGSLLGVCLTIQILTGLFLAMHYTSDTLTAFSSVAHICRDVNYGWLIRNLHANGASMFFMCLFLHVGRGIYYGSYLYKETWNIGVILLLTVMATAFVGYVLPWGQMSFWGATVITNLLSAIPYIGTTLVEWIWGGFSVDKATLTRFFAFHFILPFIIMAMVIVHLLFL... | 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. |
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