| Reaction Details |
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 | Report a problem with these data |
| Target | Genome polyprotein/Non-structural protein 4A |
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| Ligand | BDBM50461541 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1771452 (CHEMBL4223564) |
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| IC50 | 0.820000±n/a nM |
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| Citation |  Venables, BL; Sin, N; Wang, AX; Sun, LQ; Tu, Y; Hernandez, D; Sheaffer, A; Lee, M; Dunaj, C; Zhai, G; Barry, D; Friborg, J; Yu, F; Knipe, J; Sandquist, J; Falk, P; Parker, D; Good, AC; Rajamani, R; McPhee, F; Meanwell, NA; Scola, PM P3-P4 ureas and reverse carbamates as potent HCV NS3 protease inhibitors: Effective transposition of the P4 hydrogen bond donor. Bioorg Med Chem Lett28:1853-1859 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| |
| Genome polyprotein/Non-structural protein 4A |
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| Name: | Genome polyprotein/Non-structural protein 4A |
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| Synonyms: | Hepatitis C virus serine protease, NS3/NS4A |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 1969955 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Non-structural protein 4A |
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| Synonyms: | Hepatitis C virus NS4A protein | Hepatitis C virus serine protease, NS3/NS4A | Non-structural protein 4A |
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| Type: | PROTEIN |
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| Mol. Mass.: | 5762.65 |
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| Organism: | Hepatitis C virus |
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| Description: | ChEMBL_305334 |
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| Residue: | 54 |
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| Sequence: | STWVLLGGVLAALAAYCLSVGCVVIVGYIELGGKPALVPDKEVCYQQYDEMEEC
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| Component 2 |
| Name: | Genome polyprotein |
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| Synonyms: | Hepatitis C virus NS3 protease/helicase | Hepatitis C virus serine protease, NS3/NS4A |
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| Type: | Protein |
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| Mol. Mass.: | 67067.41 |
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| Organism: | Hepatitis C virus |
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| Description: | A3EZI9 |
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| Residue: | 631 |
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| Sequence: | APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTAAQTFLATCINGVCWTVYHGAG
TRTIASSKGPVIQMYTNVDQDLVGWPAPQGARSLTPCTCGSSDLYLVTRHADVIPVRRRG
DGRGSLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVEGLETTMR
SPVFSDNSSPPAVPQSYQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGA
YMSKAHGIDPNIRTGVRTITTGSPITYSTYGKFLADGGCSGGAYDIIICDECHSTDATSI
LGIGTVLDQAETAGARLTVLATATPPGSVTVPHPNIEEVALSTTGEIPFYGKAIPLEAIK
GGRHLIFCHSKKKCDELAAKLVALGVNAVAYYRGLDVSVIPASGDVVVVATDALMTGFTG
DFDSVIDCNTCVTQTVDFSLDPTFTIETTTLPQDAVSRTQRRGRTGRGKPGIYRFVTPGE
RPSGMFDSSVLCECYDAGCAWYELTPAETTVRLRAYMNTPGLPVCQDHLEFWEGVFTGLT
HIDAHFLSQTKQSGENLPYLVAYQATVCARAQAPPPSWDQMWKCLIRLKPTLHGPTPLLY
RLGAVQNEITLTHPITKYIMTCMSADLEVVT
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| BDBM50461541 |
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| n/a |
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| Name | BDBM50461541 |
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| Synonyms: | CHEMBL4225301 |
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| Type | Small organic molecule |
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| Emp. Form. | C37H52N6O8S |
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| Mol. Mass. | 740.909 |
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| SMILES | COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N[C@@H](C)C(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)nccc2c1 |r| |
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| Structure | 
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