| Reaction Details |
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 | Report a problem with these data |
| Target | Genome polyprotein/Non-structural protein 4A |
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| Ligand | BDBM50141206 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_143642 (CHEMBL752801) |
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| Ki | <200±n/a nM |
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| Citation |  Perni, RB; Pitlik, J; Britt, SD; Court, JJ; Courtney, LF; Deininger, DD; Farmer, LJ; Gates, CA; Harbeson, SL; Levin, RB; Lin, C; Lin, K; Moon, YC; Luong, YP; O'Malley, ET; Rao, BG; Thomson, JA; Tung, RD; Van Drie, JH; Wei, Y Inhibitors of hepatitis C virus NS3.4A protease 2. Warhead SAR and optimization. Bioorg Med Chem Lett14:1441-6 (2004) [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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| BDBM50141206 |
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| n/a |
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| Name | BDBM50141206 |
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| Synonyms: | 3,4-Dihydro-1H-isoquinoline-2-carboxylic acid (S)-1-((R)-3-methyl-2-{(R)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-5-[(R)-1-((S)-1-phenyl-ethylaminooxalyl)-butylcarbamoyl]-pyrrolidin-3-yl ester | CHEMBL285069 |
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| Type | Small organic molecule |
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| Emp. Form. | C44H56N8O8 |
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| Mol. Mass. | 824.9642 |
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| SMILES | CCCC(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OC(=O)N1CCc2ccccc2C1)C(=O)C(=O)N[C@@H](C)c1ccccc1 |
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| Structure | 
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