| Reaction Details |
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 | Report a problem with these data |
| Target | Genome polyprotein |
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| Ligand | BDBM50534629 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1929235 (CHEMBL4432411) |
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| IC50 | 119±n/a nM |
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| Citation |  Pierra Rouvière, C; Amador, A; Badaroux, E; Convard, T; Da Costa, D; Dukhan, D; Griffe, L; Griffon, JF; LaColla, M; Leroy, F; Liuzzi, M; Loi, AG; McCarville, J; Mascia, V; Milhau, J; Onidi, L; Paparin, JL; Rahali, R; Sais, E; Seifer, M; Surleraux, D; Standring, D; Dousson, C Synthesis of potent and broad genotypically active NS5B HCV non-nucleoside inhibitors binding to the thumb domain allosteric site 2 of the viral polymerase. Bioorg Med Chem Lett26:4536-4541 (2016) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Genome polyprotein |
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| Name: | Genome polyprotein |
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| Synonyms: | HCV NS5B Polymerase | POLG_HCVNZ | RNA-directed RNA polymerase (NS5B) |
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| Type: | Protein |
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| Mol. Mass.: | 329637.29 |
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| Organism: | Hepatitis C virus genotype 3a (isolate NZL1) (HCV) |
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| Description: | Q81258 |
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| Residue: | 3021 |
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| Sequence: | MSTLPKPQRKTKRNTIRRPQDVKFPGGGQIVGGVYVLPRRGPRLGVRATRKTSERSQPRG
RRQPIPKARRSEGRSWAQPGYPWPLYGNEGCGWAGWLLSPRGSRPSWGPNDPRRRSRNLG
KVIDTLTCGFADLMGYIPLVGAPVGGVARALAHGVRALEDGINFATGNLPGCSFSIFLLA
LFSCLIHPAASLEWRNTSGLYVLTNDCSNSSIVYEADDVILHTPGCVPCVQDGNTSTCWT
PVTPTVAVRYVGATTASIRSHVDLLVGAATMCSALYVGDMCGAVFLVGQAFTFRPRRHQT
VQTCNCSLYPGHLSGHRMAWDMMMNWSPAVGMVVAHVLRLPQTLFDIMAGAHWGILAGLA
YYSMQGNWAKVAIIMVMFSGVDAHTYTTGGTASRHTQAFAGLFDIGPQQKLQLVNTNGSW
HINSTALNCNESINTGFIAGLFYYHKFNSTGCPQRLSSCKPITFFRQGWGPLTDANITGP
SDDRPYCWHYAPRPCDIVPASSVCGPVYCFTPSPVVVGTTDARGVPTYTWGENEKDVFLL
KSQRPPSGRWFGCSWMNSTGFLKTCGAPPCNIYGGEGNPHNESDLFCPTDCFRKHPETTY
SRCGAGPWLTPRCMVDYPYRLWHYPCTVDFRLFKVRMFVGGFEHRFTAACNWTRGERCDI
EDRDRSEQHPLLHSTTELAILPCSFTPMPALSTGLIHLHQNIVDVQYLYGVGSGMVGWAL
KWEFVILVFLLLADARVCVALWLMLMISQTEAALENLVTLNAVAAAGTHGIGWYLVAFCA
AWYVRGKLVPLVTYSLTGLWSLALLVLLLPQRAYAWSGEDSATLGAGVLVLFGFFTLSPW
YKHWIGRLMWWNQYTICRCESALHVWVPPLLARGSRDGVILLTSLLYPSLIFDITKLLMA
VLGPLYLIQATITTTPYFVRAHVLVRLCMLVRSVIGGKYFQMIILSIGRWFNTYLYDHLA
PMQHWAAAGLKDLAVATEPVIFSPMEIKVITWGADTAACGDILCGLPVSARLGREVLLGP
ADDYREMGWRLLAPITAYAQQTRGLLGTIVTSLTGRDKNVVTGEVQVLSTATQTFLGTTV
GGVIWTVYHGAGSRTLAGAKHPALQMYTNVDQDLVGWPAPPGAKSLEPCACGSSDLYLVT
RDADVIPARRRGDSTASLLSPRPLACLKGSSGGPVMCPSGHVAGIFRAAVCTRGVAKSLQ
FIPVETLSTQARSPSFSDNSTPPAVPQSYQVGYLHAPTGSGKSTKVPAAYVAQGYNVLVL
NPSVAATLGFGSFMSRAYGIDPNIRTGNRTVTTGAKLTYSTYGKFLADGGCSGGAYDVII
CDECHAQDATSILGIGTVLDQAETAGVRLTVLATATPPGSITVPHSNIEEVALGSEGEIP
FYGKAIPIALLKGGRHLIFCHSKKKCDEIASKLRGMGLNAVAYYRGLDVSVIPTTGDVVV
CATDALMTGFTGDFDSVIDCNVAVEQYVDFSLDPTFSIETRTAPQDAVSRSQRRGRTGRG
RLGTYRYVASGERPSGMFDSVVLCECYDAGCSWYDLQPAETTVRLRAYLSTPGLPVCQDH
LDFWESVFTGLTHIDAHFLSQTKQQGLNFSYLTAYQATVCARAQAPPPSWDEMWKCLVRL
KPTLHGPTPLLYRLGPVQNETCLTHPITKYLMACMSADLEVTTSTWVLLGGVLAALAAYC
LSVGCVVIVGHIELEGKPALVPDKEVLYQQYDEMEECSQAAPYIEQAQVIAHQFKEKILG
LLQRATQQQAVIEPIVTTNWQKLEAFWHKHMWNFVSGIQYLAGLSTLPGNPAVASLMAFT
ASVTSPLTTNQTMFFNILGGWVATHLAGPQSSSAFVVSGLAGAAIGGIGLGRVLLDILAG
YGAGVSGALVAFKIMGGECPTAEDMVNLLPAILSPGALVVGVICAAILRRHVGPGEGAVQ
WMNRLIAFASRGNHVSPTHYVPESDAAARVTALLSSLTVTSLLRRLHQWINEDYPSPCSD
DWLRTIWDWVCSVLADFKAWLSAKIMPALPGLPFISCQKGYKGVWRGDGVMSTRCPCGAA
ITGHVKNGSMRLAGPRTCANMWHGTFPINEYTTGPSTPCPSPNYTRALWRVAANSYVEVR
RVGDFHYITGATEDELKCPCQVPAAEFFTEVDGVRLHRYAPPCKPLLRDDITFMVGLHSY
TIGSQLPCEPEPDVSVLTSMLRDPSHITAETAARRLARGSPPSEASSSASQLSAPSLKAT
CQTHRPHPDAELVDANLLWRQEMGSNITRVESETKVVVLDSFEPLRAETDDVEPSVAAEC
FKKPPKYPPALPIWARPDYNPPLLDRWKAPDYVPPTVHGCALPPRGAPPVPPPRRKRTIQ
LDGSNVSAALAALAEKSFPSSKPQEENSSSSGVDTQSSTTSKVPPSPGGESDSESCSSMP
PLEGEPGDPDLSCDSWSTVSDSEEQSVVCCSMSYSWTGALITPCSAEEEKLPISPLSNSL
LRHHNLVYSTSSRSASQRQKKVTFDRLQVLDDHYKTALKEVKERASRVKARMLTIEEACA
LVPPHSARSKFGYSAKDVRSLSSRAINQIRSVWEDLLEDTTTPIPTTIMAKNEVFCVDPA
KGGRKPARLIVYPDLGVRVCEKRALYDVIQKLSIETMGPAYGFQYSPQQRVERLLKMWTS
KKTPLGFSYDTRCFDSTVTEQDIRVEEEIYQCCNLEPEARKVISSLTERLYCGGPMFNSK
GAQCGYRRCRASGVLPTSFGNTITCYIKATAAAKAANLRNPDFLVCGDDLVVVAESDGVD
EDRAALRAFTEAMTRYSAPPGDAPQATYDLELITSCSSNVSVARDDKGRRYYYLTRDATT
PLARAAWETARHTPVNSWLGNIIMYAPTIWVRMVMMTHFFSILQSQEILDRPLDFEMYGA
TYSVTPLDLPAIIERLHGLSAFTLHSYSPVELNRVAGTLRKLGCPPLRAWRHRARAVRAK
LIAQGGKAKICGLYLFNWAVRTKTNLTPLPAAGQLDLSSWFTVGVGGNDIYHSVSRARTR
HLLLCLLLLTVGVGIFLLPAR
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| BDBM50534629 |
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| n/a |
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| Name | BDBM50534629 |
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| Synonyms: | CHEMBL4444480 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H25N6O4PS |
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| Mol. Mass. | 548.553 |
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| SMILES | COP(=O)(Nc1nc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C |
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| Structure | 
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