Reaction Details |
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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 |
Synonyms: | Hepatitis C virus serine protease, NS3/NS4A |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 1969955 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Non-structural protein 4A |
Synonyms: | Hepatitis C virus NS4A protein | Hepatitis C virus serine protease, NS3/NS4A | Non-structural protein 4A |
Type: | PROTEIN |
Mol. Mass.: | 5762.65 |
Organism: | Hepatitis C virus |
Description: | ChEMBL_305334 |
Residue: | 54 |
Sequence: | STWVLLGGVLAALAAYCLSVGCVVIVGYIELGGKPALVPDKEVCYQQYDEMEEC
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Component 2 |
Name: | Genome polyprotein |
Synonyms: | Hepatitis C virus NS3 protease/helicase | Hepatitis C virus serine protease, NS3/NS4A |
Type: | Protein |
Mol. Mass.: | 67067.41 |
Organism: | Hepatitis C virus |
Description: | A3EZI9 |
Residue: | 631 |
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 |
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 |
Type | Small organic molecule |
Emp. Form. | C44H56N8O8 |
Mol. Mass. | 824.9642 |
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 |
Structure |
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