instruction stringclasses 8
values | input stringlengths 16 761 | output stringlengths 112 280 |
|---|---|---|
Analyze the binding relationship between the following compound and protein. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MYKKLFTKKFISFVMSLLLVLTAAFSSMPFHNVYAADNASVVANIVGDFQDQLGDSNWNIDSNITIMQYVGNGLYEFTTPTQLKAGSYQYKVALNHSWNGGGVPSQGNLTLNLTNDSYVTFWFDYNTQSVTDSTKYTPISNDKLPRLVGTIQSAIGAGKDWDPGTSTAIMIDDNFDNVYSYTAHIPKGDYQYKVTLGNTW... | 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: [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C | This approved drug compound targets the protein with sequence: MDSKESLTPGREENPSSVLAQERGDVMDFYKTLRGGATVKVSASSPSLAVASQSDSKQRRLLVDFPKGSVSNAQQPDLSKAVSLSMGLYMGETETKVMGNDLGFPQQGQISLSSGETDLKLLEESIANLNRSTSVPENPKSSASTAVSAAPTEKEFPKTHSDVSSEQQHLKGQTGTNGGNVKLYTTDQSTFDILQDLEFS... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CC1=C(C)C(NC2=CC=CC=C2C(O)=O)=CC=C1 | This approved drug compound targets the protein with sequence: MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRSNLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRFLLRRKFIPDPQGTNLMFAFF... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: Cc1cc(C(=O)NCCNCC(O)COc2ccccc2C#N)[nH]n1
Protein sequence: MTDDVALPLQFTDAAASKVKNLISDENNPDLKLRVYITGGGCSGFQYGFTFDDKVNEGDMTIEKSGVALVVDPMSLQYLVGGSVDYTEGLEGSRFIVTNPNAKTTCGCGSSFSI | Yes, this compound binds to the given protein target. The SMILES structure Cc1cc(C(=O)NCCNCC(O)COc2ccccc2C#N)[nH]n1 has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MGSSGDAWKLKDHPKLPKGKTVAVIVLDGWGEAKPNEFNAIHVAETPVMYSLKNGAPEKWRLIKAHGNAVGLPTEDDMGNSEVGHNALGAGRIFAQGAKLVDLALASGKIYEGEGFKYVKECFEKGTLHLIGLLSDGGVHSRLDQVQLLLKGAAKHGAKRIRVHALTDGRDVLDGSSVGFMETLENSLAQLREKGIDAQV... | Yes, this compound binds to the given protein target. The SMILES structure Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12 has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=C(O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O
Protein sequence: MAPTRRSRDLLRGKNVLIIGGTSGIGFAVAQLVIEHGAMACIAGSNPTKLGKALDALKQHPDRDPIAIVQSATCDLFDVPNLEQNLDNLLKLAAGDSKIHHIVFTAADMVQPPPLASVTIEQIQRVGTIRFTAPMLVAKLLPKYMELCPENSYTLTSGSHAKQPDPGWSLVTGYCGGVEGLMRGLAVDMMPLRVNVVSPG... | 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. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CC1=CC(C)=C(C=C1)C(=O)OCC1=CC=C(C=C1)[C@@H](CN)C(=O)NC1=CC=C2C=NC=CC2=C1 | This approved drug compound targets the protein with sequence: MSRPPPTGKMPGAPETAPGDGAGASRQRKLEALIRDPRSPINVESLLDGLNSLVLDLDFPALRKNKNIDNFLNRYEKIVKKIRGLQMKAEDYDVVKVIGRGAFGEVQLVRHKASQKVYAMKLLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPGGDLVNLMSNYDVPEKWAKFYTAEVVL... |
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: MNLLIIGLPGAGKGTQAAKIVEEFGVAHISTGDMFRAAMANQTEMGRLAKSYIDKGELVPDEVTNGIVKERLAEDDIAEKGFLLDGYPRTIEQAHALDATLEELGLRLDGVINIKVDPSCLVERLSGRIINRKTGETFHKVFNPPVDYKEEDYYQREDDKPETVKRRLDVNMAQGEPILEHYRKLGLVTDIEGNQEITDV... | 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: 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: MPMTLGYWNIRGLAHSIRLLLEYTDSSYEEKKYTMGDAPDYDRSQWLNEKFKLGLDFPNLPYLIDGTHKITQSNAILRYIARKHNLCGESEKEQIREDILENQFMDSRMQLAKLCYDPDFEKLKPEYLQALPEMLKLYSQFLGKQPWFLGDKITFVDFIAYDVLERNQVFEPSCLDAFPNLKDFISRFEGLEKISAYMKS... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CCCc1cccc(C(C)C)c1O
Protein sequence: MRTHYCGHLNKSLAGQTVELCGWVNRRRDLGGLIFIDMRDREGIVQVVVDPDMADAYAVASQLRNEFCIKLTGEVRTRPESQVNKEMATGEVEILAKGLEIINRSDVLPLDFNQKNSEEQRLKYRYLDLRRPEMSDRIKLRAKASSFVRRFLDDNGFLDIETPVLTKATPEGARDYLVPSRVHKGSFYALPQSPQLFKQL... | Yes, this compound binds to the given protein target. The SMILES structure CCCc1cccc(C(C)C)c1O has documented binding affinity with the specified peptide sequence. |
Analyze the binding relationship between the following compound and protein. | 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: MVEKNKEYIFDIISQGYEGEGIAKIDNKYPIFIEGALKGEKVKVRIVKVNKNFAYGKLMEVLEASEERVNPPCAIYKRCGGCKLQHASYKAQLDFKWDRVKDCVSKIGKLDPSIVKYPLGMENPWRYRNKVQLPIGLINGEVKIGFFAPRSHDIIDMESCLIQDEIGDKVVKLTREWIEKFNIRPYNVDGEYDEKGIVRH... | 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: C[C@@H](NCCC1=CC=C(O)C=C1)[C@@H](O)C1=CC=C(O)C=C1 | This approved drug compound targets the protein with sequence: MTNPSDRVLPANSMAESREGDFGCTVMELRKLMELRSRDALTQINVHYGGVQNLCSRLKTSPVEGLSGNPADLEKRRQVFGHNVIPPKKPKTFLELVWEALQDVTLIILEIAAIISLVLSFYRPAGEENELCGQVATTPEDENEAQAGWIEGAAILFSVIIVVLVTAFNDWSKEKQFRGLQCRIEQEQKFSIIRNGQLIQ... |
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: MQPDLHCRTLAAHTLKHFRALSPLTHCMTNDVVQTFTANTLLALGASPAMVIDPVEARPFAAIANALLINVGTLTASRADAMRAAVESAYDAKTPWTLDPVAVGVLEFRRRFCLDLLSLRPAAIRGNASEILALAGMALGGRGVDTTEAALAALPAAQALARQIDCIVVVTGEIDYVTNSQRTLSIPGGDPLMTRIVGTG... | 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: CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O | This approved drug compound targets the protein with sequence: MGAPFVWALGLLMLQMLLFVAGEQGTQDITDASERGLHMQKLGSGSVQAALAELVALPCLFTLQPRPSAARDAPRIKWTKVRTASGQRQDLPILVAKDNVVRVAKSWQGRVSLPSYPRRRANATLLLGPLRASDSGLYRCQVVRGIEDEQDLVPLEVTGVVFHYRSARDRYALTFAEAQEACRLSSAIIAAPRHLQAAFE... |
What is the biological target of this clinically approved compound? | Drug SMILES: OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N | This approved drug compound targets the protein with sequence: MKTPWKVLLGLLGAAALVTIITVPVVLLNKGTDDATADSRKTYTLTDYLKNTYRLKLYSLRWISDHEYLYKQENNILVFNAEYGNSSVFLENSTFDEFGHSINDYSISPDGQFILLEYNYVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWVTWSPVGHKLAYVWNNDIYVKIEPNLPSYRITWTGKEDIIYNGITD... |
Identify the protein target for the following approved drug compound. | Drug SMILES: [H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=NC=CN=C1)C1CCCCC1)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)C(=O)NC1CC1 | This approved drug compound targets the protein with sequence: MGPRIGPAGEVPQVPDKETKATMGTENTPGGKASPDPQDVRPSVFHNIKLFVLCHSLLQLAQLMISGYLKSSISTVEKRFGLSSQTSGLLASFNEVGNTALIVFVSYFGSRVHRPRMIGYGAILVALAGLLMTLPHFISEPYRYDNTSPEDMPQDFKASLCLPTTSAPASAPSNGNCSSYTETQHLSVVGIMFVAQTLLG... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: NNCCC1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MQRAAALVRRGCGPRTPSSWGRSQSSAAAEASAVLKVRPERSRRERILTLESMNPQVKAVEYAVRGPIVLKAGEIELELQRGIKKPFTEVIRANIGDAQAMGQQPITFLRQVMALCTYPNLLDSPSFPEDAKKRARRILQACGGNSLGSYSASQGVNCIREDVAAYITRRDGGVPADPDNIYLTTGASDGISTILKILVS... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MTTLGTPLSPSATRVLLLGSGELGKEVAIELQRFGVEVIAADRYANAPAMQVAHRSHVLDMLDPQALRALIAQEQPHLIVPEIEAIHTETLVALEHEQGQKVIPTARAARLTMDREGIRRLAAETLGLPTSPYRFVDTAAEYREAIATVGLPCVVKPVMSSSGKGQSTLRSEADIDAAWDYAQTGGRAGAGRCIVEGFID... | 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: CC(=O)C(O)=O | This approved drug compound targets the protein with sequence: MSIQENISSLQLRSWVSKSQRDLAKSILIGAPGGPAGYLRRASVAQLTQELGTAFFQQQQLPAAMADTFLEHLCLLDIDSEPVAARSTSIIATIGPASRSVERLKEMIKAGMNIARLNFSHGSHEYHAESIANVREAVESFAGSPLSYRPVAIALDTKGPEIRTGILQGGPESEVELVKGSQVLVTVDPAFRTRGNANTV... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: COC1=CC2=C(C=C1OC)[C@@H](CC1=CC(OC)=C(OC)C=C1)[N@@+](C)(CCC(=O)OCCCCCOC(=O)CC[N@@+]1(C)CCC3=C(C=C(OC)C(OC)=C3)[C@H]1CC1=CC(OC)=C(OC)C=C1)CC2 | This approved drug compound targets the protein with sequence: MLPDFMLVLIVLGIPSSATTGFNSIAENEDALLRHLFQGYQKWVRPVLHSNDTIKVYFGLKISQLVDVDEKNQLMTTNVWLKQEWTDHKLRWNPDDYGGIHSIKVPSESLWLPDIVLFENADGRFEGSLMTKVIVKSNGTVVWTPPASYKSSCTMDVTFFPFDRQNCSMKFGSWTYDGTMVDLILINENVDRKDFFDNGE... |
What is the biological target of this clinically approved compound? | Drug SMILES: O=S(=O)([O-])[O-].[Zn+2] | This approved drug compound targets the protein with sequence: MAESSDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWYHFSCFWKVGHSIRHPDVEVDGFSELRWDDQQKVKKTAEAGGVTGKGQDGIGSKAEKTLGDFAAEYAKSNRSTCKGCMEKIEKGQVRLSKKMVDPEKPQLGMIDRWYHPGCFVKNREELGFRPEYSASQLKGFSLLATEDKEALKKQLP... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: C[C@H](CS[C@@H](CCc1cccc(CO)c1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)C(=O)O
Protein sequence: MIKLRDELGTATTDSAQKILLLGSGELGKEIAIEAQRLGVEVVAVDRYANAPAMQVAHRSYVGNMMDKDFLWSVVEREKPDAIIPEIEAINLDALFEFEKEGYFVVPNAKATWIAMHRERLRETLVKEAKVPTSRYMYATTLDELYEACEKIGYPCHTKAIMSSSGKGSYFVRGPEDIPKAWEEAKTKARGSAEKIIVEE... | Yes, this compound binds to the given protein target. The SMILES structure C[C@H](CS[C@@H](CCc1cccc(CO)c1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)C(=O)O has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: COC1=CC(NCC2=C(C)C3=C(C=C2)N=C(N)N=C3N)=CC(OC)=C1OC | This approved drug compound targets the protein with sequence: MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MTTMAARRSEAAPAPQQLRGSQLKQLRELFRRFDMNGDGSLTQLELAALLRSLGLRPTGDEVHALLAGMDANGNGSVEFDELAAAIAPVLTTQTHLVDQAQLLEVFRAFDRDGNGFISAAELARSMARLGQPLTFEELTRMMRDADTDGDGVISFKEFAAVMAKSALDFLGVA | 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: CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2 | This approved drug compound targets the protein with sequence: MRTLNTSAMDGTGLVVERDFSVRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTSPSDGNATSLAETIDNCDSSLSRTYAISSSV... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: N=C(NCCCc1c[nH]cn1)NCCC(c1ccc(F)c(F)c1)c1ccccn1
Protein sequence: MFCVQCEQTIRTPAGNGCSYAQGMCGKTAETSDLQDLLIAALQGLSAWAVKAREYGIINHDVDSFAPRAFFSTLTNVNFDSPRIVGYAREAIALREALKAQCLAVDANARVDNPMADLQLVSDDLGELQRQAAEFTPNKDKAAIGENILGLRLLCLYGLKGAAAYMEHAHVLGQYDNDIYAQYHKIMAWLGTWPADMNAL... | Yes, this compound binds to the given protein target. The SMILES structure N=C(NCCCc1c[nH]cn1)NCCC(c1ccc(F)c(F)c1)c1ccccn1 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: CN1CCC[C@H]1C1=CN=CC=C1 | This approved drug compound targets the protein with sequence: MNWSHSCISFCWIYFAASRLRAAETADGKYAQKLFNDLFEDYSNALRPVEDTDKVLNVTLQITLSQIKDMDERNQILTAYLWIRQIWHDAYLTWDRDQYDGLDSIRIPSDLVWRPDIVLYNKADDESSEPVNTNVVLRYDGLITWDAPAITKSSCVVDVTYFPFDNQQCNLTFGSWTYNGNQVDIFNALDSGDLSDFIED... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CNC(C)(C)CC1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEE... |
Does the following compound bind to the given protein target? | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MMQVLLVTICLAVFPYQGSSIILESGNVNDYEIVYPQKVTALPIEAILQPEQKYEDAMQYEFEVNGEPVVLHLEKNKNLFTKDYSETHYSPDGREITTKPLIEDHCYYHGRIQNDAHSTASISACNGLKGHFKLQGETYLIEPLKIPDSEAHAVYKYENIEKEDEALKMCGVKHTNWESDEPIKEASQLFATSEQHRFRE... | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CNCC[S+]([O-])CP(=O)(O)O has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O
Protein sequence: MNVENQTPNVDHQEIAKFEAIASRWWDLEGEFKPLHRINPLRLGYISQRAEGLFGKKVLDVGCGGGILAESMAREGADVTGLDMGAEPLQVARLHALESGVTVDYVQETVEAHADAHSGLYDVVTCMEMLEHVPDPQSVVQACAKLVKPGGHVFFSTINRNAKAWMMAVIGAEYILKMVPRGTHDIKKFIRPAELMRWVD... | 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. |
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: MPWIQLIIDTKAKYAEQVGDMLSANGAQAVTFVDAKDTPMYEPKPGEVMLWPETQVMGLYEADYDMDGVVARMSKSKVLGADFPHKLDQLEDKDWEREWMDNFHPMRFGQRLWICPSWRDVPDPSAVNVMLDPGLAFGTGTHPTTALCLRWLDALELSDKLVVDFGCGSGILGIAAIKLGAKRVVGIDIDPQALLSSQTN... | Yes, this compound binds to the given protein target. The SMILES structure COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCN3CCCC3)C(C)=C1O)[C@@H]2COC(N)=O has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MAPNGTASSFCLDSTACKITITVVLAVLILITVAGNVVVCLAVGLNRRLRNLTNCFIVSLAITDLLLGLLVLPFSAIYQLSCKWSFGKVFCNIYTSLDVMLCTASILNLFMISLDRYCAVMDPLRYPVLVTPVRVAISLVLIWVISITLSFLSIHLGWNSRNETSKGNHTTSKCKVQVNEVYGLVDGLVTFYLPLLIMCI... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CCC(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12
Protein sequence: MPIEIPTDLTPELVPFAWLLGTWEGNGFMGYGDAEQRAFRQRVTFEQTGLPFVIYRAQTTLLDEEGEPQREATYEQGFWELARPREDGDIGPGMLPPDPVPVLTSAEDVEKLRNADGGFDISVSILQPGGVAELYLGQIKGPRVDLRTDAVIRAQGAKEYQSGTRLYGLVNNHLMWAWDMAADGRELATHASAELTRIEP... | 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: COC1=CC2=C(C=C1OC)[C@@H](CC1=CC(OC)=C(OC)C=C1)[N@@+](C)(CCC(=O)OCCCCCOC(=O)CC[N@@+]1(C)CCC3=C(C=C(OC)C(OC)=C3)[C@H]1CC1=CC(OC)=C(OC)C=C1)CC2 | This approved drug compound targets the protein with sequence: MNWSHSCISFCWIYFAASRLRAAETADGKYAQKLFNDLFEDYSNALRPVEDTDKVLNVTLQITLSQIKDMDERNQILTAYLWIRQIWHDAYLTWDRDQYDGLDSIRIPSDLVWRPDIVLYNKADDESSEPVNTNVVLRYDGLITWDAPAITKSSCVVDVTYFPFDNQQCNLTFGSWTYNGNQVDIFNALDSGDLSDFIED... |
Identify the protein target for the following approved drug compound. | 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: MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYST... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CC(=O)OC1=CC=CC=C1C(O)=O | This approved drug compound targets the protein with sequence: MSWSPSLTTQTCGAWEMKERLGTGGFGNVIRWHNQETGEQIAIKQCRQELSPRNRERWCLEIQIMRRLTHPNVVAARDVPEGMQNLAPNDLPLLAMEYCQGGDLRKYLNQFENCCGLREGAILTLLSDIASALRYLHENRIIHRDLKPENIVLQQGEQRLIHKIIDLGYAKELDQGSLCTSFVGTLQYLAPELLEQQKYT... |
Identify the protein target for the following approved drug compound. | Drug SMILES: O=S(=O)([O-])[O-].[Zn+2] | This approved drug compound targets the protein with sequence: MANCERTFIAIKPDGVQRGLVGEIIKRFEQKGFRLVGLKFMQASEDLLKEHYVDLKDRPFFAGLVKYMHSGPVVAMVWEGLNVVKTGRVMLGETNPADSKPGTIRGDFCIQVGRNIIHGSDSVESAEKEIGLWFHPEELVDYTSCAQNWIYE |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: Cl.Cl.NCCCC(=O)NCCCCNC(=O)CCCN
Protein sequence: MATSTIQQSAFAGQTLLKPQNELVRKVGGNGGRVSMRRTIKSAPESIWYGPDRPKYLGPFSEQTPSYLTGEFPGDYGWDTAGLSADPETFAKNRELEVIHCRWAMLGALGCVFPELLAKNGVKFGEAVWFKAGSQIFQEGGLDYLGNPNLVHAQSILAIWACQVVLMGAVEGYRVGGGPLGEGLDQLYPGGAFDPLGLAE... | Yes, this compound binds to the given protein target. The SMILES structure Cl.Cl.NCCCC(=O)NCCCCNC(=O)CCCN has documented binding affinity with the specified peptide sequence. |
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: MAGVRHDDGSGLIAQRRPVRGEGATRSRGPSGPSNRNVSAADDPRRVALLAVHTSPLAQPGTGDAGGMNVYMLQSALHLARRGIEVEIFTRATASADPPVVRVAPGVLVRNVVAGPFEGLDKYDLPTQLCAFAAGVLRAEAVHEPGYYDIVHSHYWLSGQVGWLARDRWAVPLVHTAHTLAAVKNAALADGDGPEPPLRT... | 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: COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O | This approved drug compound targets the protein with sequence: MAEPQPPSGGLTDEAALSCCSDADPSTKDFLLQQTMLRVKDPKKSLDFYTRVLGMTLIQKCDFPIMKFSLYFLAYEDKNDIPKEKDEKIAWALSRKATLELTHNWGTEDDETQSYHNGNSDPRGFGHIGIAVPDVYSACKRFEELGVKFVKKPDDGKMKGLAFIQDPDGYWIEILNPNKMATLM |
Identify the protein target for the following approved drug compound. | Drug SMILES: CN(C)CC\C=C1\C2=CC=CC=C2SC2=CC=C(Cl)C=C12 | This approved drug compound targets the protein with sequence: MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECV... |
What is the biological target of this clinically approved compound? | Drug SMILES: OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CNC[C@H]2O | This approved drug compound targets the protein with sequence: MAQTPAFDKPKVELHVHLDGSIKPETILYYGRRRGIALPANTAEGLLNVIGMDKPLTLPDFLAKFDYYMPAIAGCREAIKRIAYEFVEMKAKEGVVYVEVRYSPHLLANSKVEPIPWNQAEGDLTPDEVVALVGQGLQEGERDFGVKARSILCCMRHQPNWSPKVVELCKKYQQQTVVAIDLAGDETIPGSSLLPGHVQA... |
Does the following compound bind to the given protein target? | Compound SMILES: CCN(CC)CCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2
Protein sequence: MLTTSSSTMLGKYGWQILRRLASKSWEHTRQRKKPSGAGSRVLTDAREVFEFNAWDHVQWDEEQELAAKAAVAKNSTSKMEAEQKERFQTDAPKFWDSFYGIHDNRFFKDRHWLFTEFPELAPLAADSAVLQPRSIFELGCGVGNTILPLLQYSSEPQLKVFGCDFSARAIEILRSQRQFDEKRCEVFVMDATLDHWQVP... | Yes, this compound binds to the given protein target. The SMILES structure CCN(CC)CCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: OC(=O)C1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2 | This approved drug compound targets the protein with sequence: MDNGMFSGFIMIKNLLLFCISMNLSSHFGFSQMPTSSVKDETNDNITIFTRILDGLLDGYDNRLRPGLGERITQVRTDIYVTSFGPVSDTEMEYTIDVFFRQSWKDERLRFKGPMQRLPLNNLLASKIWTPDTFFHNGKKSIAHNMTTPNKLLRLEDDGTLLYTMRLTISAECPMQLEDFPMDAHACPLKFGSYAYPNSE... |
What is the biological target of this clinically approved compound? | 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: MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLP... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MATHLSHPQRRPLLRQAIKIRRRRVRDLQDPPPQATQEVQVQSHHFSPEERDLLYEEALYTVLHRLGQPEPNHVKEASELLSYLQEAFQVQPEEHQQMLRRVRELEKPVFCLKATVKQAKGILGKDVSGFSDPYCLLGIEQKVGVAEGSPVSRRRQKAVVKHTIPEEETHRTQVKSQTLNPVWDETFILEFEDIANASFH... | 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. |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CCCN1CCC[C@H]2c3ccc(C=O)c(O)c3CC[C@@H]21
Protein sequence: MAFISFPPRHPSSSARLPLTLIALDDWALSSITGVDSEKYIQGQVTADVSQMTEQQHLLAAHCDAKGKMWSTLRLFRERDGFAWIERRSVREAQLTELKKYAVFSKVVIAPDDERVLLGVAGFQARAALANVFSELPNSENQVVRDGASTLLWFEHPAERFLLVTDVATANMLTEKLHGEAELNNSQQWLALDIEAGIPV... | Yes, this compound binds to the given protein target. The SMILES structure CCCN1CCC[C@H]2c3ccc(C=O)c(O)c3CC[C@@H]21 has documented binding affinity with the specified peptide sequence. |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O | This approved drug compound targets the protein with sequence: MESLKRWNEERGLWCEKGVQVLLTTVGAFAAFGLMTIAISTDYWLYTRALICNTTNLTAGGDDGTPHRGGGGASEKKDPGGLTHSGLWRICCLEGLKRGVCVKINHFPEDTDYDHDSAEYLLRVVRASSIFPILSAILLLLGGVCVAASRVYKSKRNIILGAGILFVAAGLSNIIGVIVYISANAGEPGPKRDEEKKNHY... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1 | This approved drug compound targets the protein with sequence: MLEICLKLVGCKSKKGLSSSSSCYLEEALQRPVASDFEPQGLSEAARWNSKENLLAGPSENDPNLFVALYDFVASGDNTLSITKGEKLRVLGYNHNGEWCEAQTKNGQGWVPSNYITPVNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVH... |
Does the following compound bind to the given protein target? | Compound SMILES: CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC#N
Protein sequence: MAIQTSNLGYPRIGLQREWKKTLEAFWSNKIDEEQFLTTMKEIRLKHVKAQQEKGIELIPIGDFTYYDHVLDTAYMLGFIPSRFSEFTSYLDVYFAMARGSKDHVASEMTKWFNTNYHYIVPEYEEGLQISLKDNRPLRLYEEAKQELGVDGKPVILGPYTFLKLAKGYTQEQFATILKQLVAPYVQLLSELHAAGAQII... | 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. |
What is the biological target of this clinically approved compound? | Drug SMILES: CCN(CC)CCOC(=O)C1=CC=C(N)C=C1 | This approved drug compound targets the protein with sequence: MANGGGGGGGSSGGGGGGGGSSLRMSSNIHANHLSLDASSSSSSSSSSSSSSSSSSSSSSVHEPKMDALIIPVTMEVPCDSRGQRMWWAFLASSMVTFFGGLFIILLWRTLKYLWTVCCHCGGKTKEAQKINNGSSQADGTLKPVDEKEEAVAAEVGWMTSVKDWAGVMISAQTLTGRVLVVLVFALSIGALVIYFIDSS... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O | This approved drug compound targets the protein with sequence: MEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCML... |
Does the following compound bind to the given protein target? | Compound SMILES: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MVKRGKKTKYLFVTGGVVSSLGKGLSAASIGALLENRGLEVQHLKLDPYINVDPGTMSPFQHGEVFVTDDGAETDLDLGHYERFTSAKMTRRNNYTTGRIYQNVIQRERRGEYLGKTVQVIPHITDEIKAVIREAAGGADILIVEVGGTVGDIESLPFLEAIRQMKYDVGEENAVYAHLTLVPFIAAAGELKTKPTQHSV... | 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: CCCC(C)(COC(N)=O)COC(=O)NC(C)C | This approved drug compound targets the protein with sequence: MDNGMFSGFIMIKNLLLFCISMNLSSHFGFSQMPTSSVKDETNDNITIFTRILDGLLDGYDNRLRPGLGERITQVRTDIYVTSFGPVSDTEMEYTIDVFFRQSWKDERLRFKGPMQRLPLNNLLASKIWTPDTFFHNGKKSIAHNMTTPNKLLRLEDDGTLLYTMRLTISAECPMQLEDFPMDAHACPLKFGSYAYPNSE... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)NC1CC1
Protein sequence: MFPFVPLSLYVAKKLFRARGFRFCQKPGVLALAPEVDPCSIQHEVTGAETPHEELQYLRQLREILCRGSDRLDRTGIGTLSLFGMQARYSLRDHFPLLTTKRVFWRGVVQELLWFLKGSTDSRELSRTGVKIWDKNGSREFLAGRGLAHRREGDLGPVYGFQWRHFGAAYVDADADYTGQGFDQLSYIVDLIKNNPHDRR... | Yes, this compound binds to the given protein target. The SMILES structure CCCCCCCC/C=C\CCCCCCCC(=O)NC1CC1 has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | 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: MLSTDTIYALSSGSLPAGVAIIRVSGPETADALVRLCGTLPPPRIATLRTIRTRNGETLDSGLVLYFPTPASFTGEDCCELQVHGGRAVVSAILDELAATGGLRHAEAGEFARRAFQNGKLDLVEVEGLADLIAAETEMQRRLAIEQSGGGQSALYAGWARRLTHSRAMIEAELDFAD... | Yes, this compound binds to the given protein target. The SMILES structure C=CC[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1 has documented binding affinity with the specified peptide sequence. |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CC(C)NCCCC1(C(N)=O)C2=CC=CC=C2C2=CC=CC=C12 | This approved drug compound targets the protein with sequence: MANFLLPRGTSSFRRFTRESLAAIEKRMAEKQARGSTTLQESREGLPEEEAPRPQLDLQASKKLPDLYGNPPQELIGEPLEDLDPFYSTQKTFIVLNKGKTIFRFSATNALYVLSPFHPIRRAAVKILVHSLFNMLIMCTILTNCVFMAQHDPPPWTKYVEYTFTAIYTFESLVKILARGFCLHAFTFLRDPWNWLDFSV... |
Identify the protein target for the following approved drug compound. | Drug SMILES: O.O.[Ca++].OP([O-])([O-])=O | This approved drug compound targets the protein with sequence: MGGSGSRLSKELLAEYQDLTFLTKQEILLAHRRFCELLPQEQRSVESSLRAQVPFEQILSLPELKANPFKERICRVFSTSPAKDSLSFEDFLDLLSVFSDTATPDIKSHYAFRIFDFDDDGTLNREDLSRLVNCLTGEGEDTRLSASEMKQLIDNILEESDIDRDGTINLSEFQHVISRSPDFASSFKIVL |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: CC(c1cc2ccccc2s1)N(O)C(=N)S
Protein sequence: MSAQRAAKRRTGDFHSEFPSSCGNPYQTACLLSKFIELPNPPLSRHQLKRLEEHRYQSCGKSLLEPLMQGFWEWLVIQVPQWIAPNLITIIGLLINIVTTVVLIYYCPTATEKAPTWTYLSCAIGLFMYQSLDAIDGKQARRTNSSTPLGELFDHGCDSLSTVFVVLGTCIAVQLGTNPDWMFFCCFAGMFMFYCAHWQT... | Yes, this compound binds to the given protein target. The SMILES structure CC(c1cc2ccccc2s1)N(O)C(=N)S has documented binding affinity with the specified peptide sequence. |
Does the following compound bind to the given protein target? | Compound SMILES: Cc1ccc(C(CC(=O)O)NC(=O)CN(C)C(=O)c2ccc(NC(=O)NCc3ccccc3)o2)cc1
Protein sequence: MVKSHIGGWILVLFVAAWSDIGLCKKRPKPGGGWNTGGSRYPGQGSPGGNRYPPQGGGGWGQPHGGGWGQPHGGGWGQPHGGGWGQPHGGGGWGQGGGSHGQWNKPSKPKTNMKHVAGAAAAGAVVGGLGGYMLGSAMSRPLIHFGSDYEDRYYRENMYRYPNQVYYRPVDQYSNQNSFVHDCVNITVKQHTVTTTTKGE... | Yes, this compound binds to the given protein target. The SMILES structure Cc1ccc(C(CC(=O)O)NC(=O)CN(C)C(=O)c2ccc(NC(=O)NCc3ccccc3)o2)cc1 has documented binding affinity with the specified peptide sequence. |
Identify the protein target for the following approved drug compound. | 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: MGEERWVSLTPEEFDQLQKYSEYSSKKIKDALTEFNEGGSLKQYDPHEPISYDVFKLFMRAYLEVDLPQPLSTHLFLAFSQKPRHETSDHPTEGASNSEANSADTNIQNADNATKADEACAPDTESNMAEKQAPAEDQVAATPLEPPVPRSSSSESPVVYLKDVVCYLSLLETGRPQDKLEFMFRLYDSDENGLLDQAEM... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C | This approved drug compound targets the protein with sequence: MAMVSEFLKQAWFIENEEQEYVQTVKSSKGGPGSAVSPYPTFNPSSDVAALHKAIMVKGVDEATIIDILTKRNNAQRQQIKAAYLQETGKPLDETLKKALTGHLEEVVLALLKTPAQFDADELRAAMKGLGTDEDTLIEILASRTNKEIRDINRVYREELKRDLAKDITSDTSGDFRNALLSLAKGDRSEDFGVNEDLAD... |
What is the biological target of this clinically approved compound? | Drug SMILES: CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2 | This approved drug compound targets the protein with sequence: MDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYV... |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: O=C(O)CC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O
Protein sequence: MPTPLALLLSAILIIGTYFAMPFWPFRKSNYDPRGKHCYITGGSSGLGKALAERLVKQGAHVTIVGRDSKKAEGVVEELKAIAAPGQIIQCIAADLTSPIASTNAIHAACKPHADQAPDYVYLCAGFSRPKLFVETTKQELKDGLDGVYWVSAYTAHEACQMMSKQRRTGKIIFVASFLSYVSFAGYSSYSPAKYALRGL... | 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. |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H] | This approved drug compound targets the protein with sequence: MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATGYHFNVMTCEGCKGFFRRAMKRNARLRCPFRKGACEITRKTRRQCQACRLRKCLESGMKKEMIMSDEAVEERRALIKRKKSERTGTQPLGVQGLTEEQRMMIRELMDAQMKTFDTTFSHFKNFRLPGVLSSGCELPESLQAPSREEAAKWS... |
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: MEYTKLAQLYQILEETTSRIKMTQALVDLFKETPPELIDKVVYLSIGRIAPEYTGLDYNFSEKSAIKALSTVLNISEHDIQHQVLQTGDLGDAGKKLYEEKGVKPEGILTVEEVYRTLREIAQTTGYGSTKKKLQLFTELLKKASPLEVKYLLRTITERLRLGIGDNTIMDALSIAFTGKKENREIIERAYNISSDLGYV... | 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: MAPITQETVDGLKDIIHKLESRVADLESRLVHGSPASNSKSLAEQFRIILIGPPGAGKGTQAPRLKEKYCVCHLATGDMLRSQVAKKTPLGKEAKKIMDQGGLVSDEIMVNMIKSELETNSECKNGFILDGFPRTVAQAERLDDMLSARNEKLQHAVELQIDDALLVARITGRLVHPASGRSYHKIFNPPKQDMKDDITG... | 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: c1cc(OCCCc2nnn[nH]2)cc(OCc2cnc3ccccc3c2)c1
Protein sequence: MARYVFITGGVVSSLGKGIAAAALGALLQARGYRVRLRKLDPYLNVDPGTMSPTQHGEVFVTDDGAETDLDLGHYERFTGRSATKTDNITTGRIYKNIIDKERRGDYLGATVQVIPHVTNEIKDFVTEGNKDYDFVICEIGGTVGDIEAMPFMEAIRQLGNDLPRGTAVYVHLTLMPYIPAAGELKTKPTQHSVKELQAL... | 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: CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)N[C@H]2CC[C@H](C)CC2)C1=O | This approved drug compound targets the protein with sequence: MPLAFCGSENHSAAYRVDQGVLNNGCFVDALNVVPHVFLLFITFPILFIGWGSQSSKVHIHHSTWLHFPGHNLRWILTFMLLFVLVCEIAEGILSDGVTESHHLHLYMPAGMAFMAAVTSVVYYHNIETSNFPKLLIALLVYWTLAFITKTIKFVKFLDHAIGFSQLRFCLTGLLVILYGMLLLVEVNVIRVRRYIFFKT... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O | This approved drug compound targets the protein with sequence: MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPMSLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNRS... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(C=C3CC[C@@]21[H])=NO | This approved drug compound targets the protein with sequence: MTELKAKGPRAPHVAGGPPSPEVGSPLLCRPAAGPFPGSQTSDTLPEVSAIPISLDGLLFPRPCQGQDPSDEKTQDQQSLSDVEGAYSRAEATRGAGGSSSSPPEKDSGLLDSVLDTLLAPSGPGQSQPSPPACEVTSSWCLFGPELPEDPPAAPATQRVLSPLMSRSGCKVGDSSGTAAAHKVLPRGLSPARQLLLPAS... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1 | This approved drug compound targets the protein with sequence: MNYSLHLAFVCLSLFTERMCIQGSQFNVEVGRSDKLSLPGFENLTAGYNKFLRPNFGGEPVQIALTLDIASISSISESNMDYTATIYLRQRWMDQRLVFEGNKSFTLDARLVEFLWVPDTYIVESKKSFLHEVTVGNRLIRLFSNGTVLYALRITTTVACNMDLSKYPMDTQTCKLQLESWGYDGNDVEFTWLRGNDSVR... |
Analyze the binding relationship between the following compound and protein. | Compound SMILES: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MSEAAQLRRGLKPKGKTYGLTNQKRREIREIFDLFDIDGSGSIDASELNVAMRSLGFEMNNQQINELMAEVDKNQSGAIDFDEFVHMMTTKFGERDSIDELSKAFKIIDHDNNGKISPRDIKMIAKELGENFTDNDIEEMIEEADRDKDGEVNLEEFMKMMKRTSYG | Yes, this compound binds to the given protein target. The SMILES structure O=C(O)CNCC[S+]([O-])CP(=O)(O)O has documented binding affinity with the specified peptide sequence. |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MALAALMIALGSLGLHTWQAQAVPILPLGLAPDTFDDTYVGCAEEMEEKAAPLLKEEMAHHALLRESWEAAQETWEDKRRGLTLPPGFKAQNGIAIMVYTNSSNTLYWELNQAVRTGGGSRELYMRHFPFKALHFYLIRALQLLRGSGGCSRGPGEVVFRGVGSLRFEPKRLGDSVRLGQFASSSLDKAVAHRFGNATLF... | 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: CCN(CC)c1cc(OC)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.O=C(O)C(=O)O
Protein sequence: MLDKTTIDGQEDIVTHPVPKRLLNSAECPTPHVNSLEQYKSMWKESVEQPEKFFGNLGRELLSWSKPFETVQYGSFEAGDVAWFLEGELNASYNCVDRHAFKNPDKIAIIHEGDEPDQVRRITYGELLREVCRMANVLKGLGVRKGDPVAIYMPMIPETIVAILACARIGAIHSVVFAGFSAEILRDRVVDCATRVVLTS... | 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: O=C(O)CNCC[S+]([O-])CP(=O)(O)O
Protein sequence: MAPPPPPTRCLPVLLLLLLVVAPLLAHGRRPFISDGGNANANANASVLRLPSAAAAAGEDMGCEMSYGFLPCTTTAWGNLFLVLAYGFLMFKSATYLSSGSEMLLQILGPGIVGGLFLPILGALPDALLILVSGLSGTKEVAQSQVLIGMGLLAGSTVMLLTLLWGSCVVVGKCDLSENSTAIDSRDTKGFSLLGSGVST... | 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: [H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC(Cl)=C1[C@@]3(C)O | This approved drug compound targets the protein with sequence: MGNIFANLFKGLFGKKEMRILMVGLDAAGKTTILYKLKLGEIVTTIPTIGFNVETVEYKNISFTVWDVGGQDKIRPLWRHYFQNTQGLIFVVDSNDRERVNEAREELMRMLAEDELRDAVLLVFANKQDLPNAMNAAEITDKLGLHSLRHRNWYIQATCATSGDGLYEGLDWLSNQLRNQK |
What is the biological target of this clinically approved compound? | Drug SMILES: CCCCCNC(=N)N\N=C\C1=CNC2=C1C=C(OC)C=C2 | This approved drug compound targets the protein with sequence: MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVW... |
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: MVDTESPLCPLSPLEAGDLESPLSEEFLQEMGNIQEISQSIGEDSSGSFGFTEYQYLGSCPGSDGSVITDTLSPASSPSSVTYPVVPGSVDESPSGALNIECRICGDKASGYHYGVHACEGCKGFFRRTIRLKLVYDKCDRSCKIQKKNRNKCQYCRFHKCLSVGMSHNAIRFGRMPRSEKAKLKAEILTCEHDIEDSET... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: O=S(=O)([O-])[O-].[Zn+2] | This approved drug compound targets the protein with sequence: MAQGVLWILLGLLLWSDPGTASLPLLMDSVIQALAELEQKVPAAKTRHTASAWLMSAPNSGPHNRLYHFLLGAWSLNATELDPCPLSPELLGLTKEVARHDVREGKEYGVVLAPDGSTVAVEPLLAGLEAGLQGRRVINLPLDSMAAPWETGDTFPDVVAIAPDVRATSSPGLRDGSPDVTTADIGANTPDATKGCPDVQ... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)=O | This approved drug compound targets the protein with sequence: MGIRGMLRAAVILLLIRTWLAEGNYPSPIPKFHFEFSSAVPEVVLNLFNCKNCANEAVVQKILDRVLSRYDVRLRPNFGGAPVPVRISIYVTSIEQISEMNMDYTITMFFHQTWKDSRLAYYETTLNLTLDYRMHEKLWVPDCYFLNSKDAFVHDVTVENRVFQLHPDGTVRYGIRLTTTAACSLDLHKFPMDKQACNLV... |
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: MDAPARLLAPLLLLCAQQLRGTRAMNDIGDYVGSNLEISWLPNLDGLIAGYARNFRPGIGGPPVNVALALEVASIDHISEANMEYTMTVFLHQSWRDSRLSYNHTNETLGLDSRFVDKLWLPDTFIVNAKSAWFHDVTVENKLIRLQPDGVILYSIRITSTVACDMDLAKYPMDEQECMLDLESYGYSSEDIVYYWSESQ... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: NC1=CC(=CNC1=O)C1=CC=NC=C1 | This approved drug compound targets the protein with sequence: MKKSRSVMTVMADDNVKDYFECSLSKSYSSSSNTLGIDLWRGRRCCSGNLQLPPLSQRQSERARTPEGDGISRPTTLPLTTLPSIAITTVSQECFDVENGPSPGRSPLDPQASSSAGLVLHATFPGHSQRRESFLYRSDSDYDLSPKAMSRNSSLPSEQHGDDLIVTPFAQVLASLRSVRNNFTILTNLHGTSNKRSPAA... |
What is the biological target of this clinically approved compound? | Drug SMILES: [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C | This approved drug compound targets the protein with sequence: MAEDMETKIKNYKTAPFDSRFPNQNQTRNCWQNYLDFHRCQKAMTAKGGDISVCEWYQRVYQSLCPTSWVTDWDEQRAEGTFPGKI |
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: MKVDELPIDERIKRVIKERGIEELYPPQAEALKSGVLEGKNLVLAIPTASGKTLVSEIVMVNKLLSEGGKAVYLVPLKALAEEKYREFKEWEVLGLRVAATTGDYDSTDEWLGRYDIIVATAEKFDSLLRHGASWIKDVKLVVADEVHLIGSYDRGATLEMILTHMLGKAQILALSATVGNAEELAEWLDASLVVSDWRP... | 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: CCOC(=O)C1=C2CN(C)C(=O)C3=C(C=CC(F)=C3)N2C=N1 | This approved drug compound targets the protein with sequence: MAPKLLLLLCLFSGLHARSRKVEEDEYEDSSSNQKWVLAPKSQDTDVTLILNKLLREYDKKLRPDIGIKPTVIDVDIYVNSIGPVSSINMEYQIDIFFAQTWTDSRLRFNSTMKILTLNSNMVGLIWIPDTIFRNSKTAEAHWITTPNQLLRIWNDGKILYTLRLTINAECQLQLHNFPMDEHSCPLIFSSYGYPKEEMI... |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MQQLSLLDSVVIPDTAQLRAAELRRLLEHHNRCYYELDSPEISDAEYDALFRELQVIEAARPDLLTPDSPTLRVGGKPLARFSQVRHRMPMLSLENAMQEDEIRGFEQRIRSLLALPDTVALQYQCEPKMDGLAVELVYQDGLLVQASTRGDGEVGEEVTANIRTVRNVPLRLTGDNLPALLEVRGEVYLPLAAFQQLNQ... | Yes, this compound binds to the given protein target. The SMILES structure COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 has documented binding affinity with the specified peptide sequence. |
Given a small molecule and a protein sequence, describe their binding interaction. | Compound SMILES: Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12
Protein sequence: MLGMCRGRRKFVAASLALIFIPALTWLYLSSANITVKPLPLSPLDPQSSAVVGAAAEHQSLELRLRDVEEHNNALRREISRTPRVPTHSSHPSSSRHGNQLHTHSTEEGTGDSEAKKGAAAGNSSDCVPQPVVKKCETIHIAIVCAGYNASRDVVTLVKSVLFHRRNPLHFHIITDSIARKILADLFHTWMVPAVHVNFY... | 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: CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2 | This approved drug compound targets the protein with sequence: MDNGMFSGFIMIKNLLLFCISMNLSSHFGFSQMPTSSVKDETNDNITIFTRILDGLLDGYDNRLRPGLGERITQVRTDIYVTSFGPVSDTEMEYTIDVFFRQSWKDERLRFKGPMQRLPLNNLLASKIWTPDTFFHNGKKSIAHNMTTPNKLLRLEDDGTLLYTMRLTISAECPMQLEDFPMDAHACPLKFGSYAYPNSE... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] | This approved drug compound targets the protein with sequence: MDSKESLTPGREENPSSVLAQERGDVMDFYKTLRGGATVKVSASSPSLAVASQSDSKQRRLLVDFPKGSVSNAQQPDLSKAVSLSMGLYMGETETKVMGNDLGFPQQGQISLSSGETDLKLLEESIANLNRSTSVPENPKSSASTAVSAAPTEKEFPKTHSDVSSEQQHLKGQTGTNGGNVKLYTTDQSTFDILQDLEFS... |
Describe the drug-target relationship for the following approved small molecule. | Drug SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CC[C@@H]1C | This approved drug compound targets the protein with sequence: MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSLRPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVRVNDGGGSHPSRPNSRHTPSFSGDSSSSCSDHCITSSDMMDSS... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: CNCC(O)C1=CC(OC(=O)C(C)(C)C)=C(OC(=O)C(C)(C)C)C=C1 | This approved drug compound targets the protein with sequence: MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAII... |
Given this FDA-approved drug's SMILES structure, what protein does it target? | Drug SMILES: [Fe++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O | This approved drug compound targets the protein with sequence: MGIQGLAKLIADVAPSAIRENDIKSYFGRKVAIDASMSIYQFLIAVRQGGDVLQNEEGETTSHLMGMFYRTIRMMENGIKPVYVFDGKPPQLKSGELAKRSERRAEAEKQLQQAQAAGAEQEVEKFTKRLVKVTKQHNDECKHLLSLMGIPYLDAPSEAEASCAALVKAGKVYAAATEDMDCLTFGSPVLMRHLTASEAK... |
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: MSKPETPAAANFLRPIVQADLESGKHAKIVTRFPPEPNGYLHIGHAKSICLNFGLAQEFGGECNLRFDDTNPAKEDQEYIDAIKSDVRWLGFQWAGEERYASSYFDQLYDWAIHLIEAGKAYVCDLSPDEAREYRGSLTEPGRNSPYRERSVEENLDLFARMRAGEFPDGARALRAKIDMAAPNMNLRDPILYRIRHAHH... | 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: N[C@@H](CC(O)=O)C(O)=O | This approved drug compound targets the protein with sequence: MTSKGPEEEHPSVTLFRQYLRIRTVQPKPDYGAAVAFFEETARQLGLGCQKVEVAPGYVVTVLTWPGTNPTLSSILLNSHTDVVPVFKEHWSHDPFEAFKDSEGYIYARGAQDMKCVSIQYLEAVRRLKVEGHRFPRTIHMTFVPDEEVGGHQGMELFVQRPEFHALRAGFALDEGIANPTDAFTVFYSERSPWWVRVTS... |
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: MDLIPNFAMETWVLVATSLVLLYIYGTHSHKLFKKLGIPGPTPLPFLGTILFYLRGLWNFDRECNEKYGEMWGLYEGQQPMLVIMDPDMIKTVLVKECYSVFTNQMPLGPMGFLKSALSFAEDEEWKRIRTLLSPAFTSVKFKEMVPIISQCGDMLVRSLRQEAENSKSINLKDFFGAYTMDVITGTLFGVNLDSLNNPQ... |
What is the biological target of this clinically approved compound? | Drug SMILES: CC(C)N(CCC(C(N)=O)(C1=CC=CC=C1)C1=NC=CC=C1)C(C)C | This approved drug compound targets the protein with sequence: MANFLLPRGTSSFRRFTRESLAAIEKRMAEKQARGSTTLQESREGLPEEEAPRPQLDLQASKKLPDLYGNPPQELIGEPLEDLDPFYSTQKTFIVLNKGKTIFRFSATNALYVLSPFHPIRRAAVKILVHSLFNMLIMCTILTNCVFMAQHDPPPWTKYVEYTFTAIYTFESLVKILARGFCLHAFTFLRDPWNWLDFSV... |
What is the biological target of this clinically approved 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: MGGSGSRLSKELLAEYQDLTFLTKQEILLAHRRFCELLPQEQRSVESSLRAQVPFEQILSLPELKANPFKERICRVFSTSPAKDSLSFEDFLDLLSVFSDTATPDIKSHYAFRIFDFDDDGTLNREDLSRLVNCLTGEGEDTRLSASEMKQLIDNILEESDIDRDGTINLSEFQHVISRSPDFASSFKIVL |
Determine whether this molecule interacts with the specified protein sequence. | Compound SMILES: COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
Protein sequence: MPKQKVAILGPGSWGTALAQVLNDNGHEVRLWGNIPEQINEINTNHTNSHYFKDIVLDEAIKATLDLKEALADADAILFVVPTKVTRLVAKQVAQVLDHKAVVMHASKGLEPGTHERLSTILEEEISAQLRSEIVVVSGPSHAEETIVRDITLITAASKDITAAKYVQALFSNHYFRLYTNTDVIGVETAGALKNIIAVG... | 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(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O | This approved drug compound targets the protein with sequence: MKSLLLLVLISICWADHLSDNYTLDHDRAIHIQAENGPHLLVEAEQAKVFSHRGGNVTLPCKFYRDPTAFGSGIHKIRIKWTKLTSDYLKEVDVFVSMGYHKKTYGGYQGRVFLKGGSDSDASLVITDLTLEDYGRYKCEVIEGLEDDTVVVALDLQGVVFPYFPRLGRYNLNFHEAQQACLDQDAVIASFDQLYDAWRG... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.