| Reaction Details |
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 | Report a problem with these data |
| Target | Genome polyprotein |
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| Ligand | BDBM50495950 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1292598 (CHEMBL3124301) |
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| Ki | 45±n/a nM |
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| Citation |  Jiang, Y; Andrews, SW; Condroski, KR; Buckman, B; Serebryany, V; Wenglowsky, S; Kennedy, AL; Madduru, MR; Wang, B; Lyon, M; Doherty, GA; Woodard, BT; Lemieux, C; Geck Do, M; Zhang, H; Ballard, J; Vigers, G; Brandhuber, BJ; Stengel, P; Josey, JA; Beigelman, L; Blatt, L; Seiwert, SD Discovery of danoprevir (ITMN-191/R7227), a highly selective and potent inhibitor of hepatitis C virus (HCV) NS3/4A protease. J Med Chem57:1753-69 (2014) [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: | NS3 protease |
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| Type: | PROTEIN |
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| Mol. Mass.: | 19154.35 |
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| Organism: | Hepacivirus C |
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| Description: | ChEMBL_118440 |
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| Residue: | 181 |
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| Sequence: | APITAYAQQTRGLLGCIITSLTGRDKNQAEGEVQIVSTATQTFLATCINGVCWTVYHGAG
TRTIASPKGPVIQMYTNVDKDLVGWPAPQGTRSLTPCTCGSSDLYLVTRHADVIPVRRRG
DSRGSLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVENLETTMR
S
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| BDBM50495950 |
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| n/a |
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| Name | BDBM50495950 |
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| Synonyms: | Danoprevir | R-05190591 | R05190591 | RO-5190591 | RO5190591 |
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| Type | Small organic molecule |
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| Emp. Form. | C35H46FN5O9S |
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| Mol. Mass. | 731.831 |
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| SMILES | [H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@H](CCCCC\C=C/2)NC(=O)OC(C)(C)C)OC(=O)N1Cc2cccc(F)c2C1)C(=O)NS(=O)(=O)C1CC1 |c:23| |
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| Structure | 
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