Reaction Details |
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Target | Genome polyprotein |
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Ligand | BDBM50141188 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_143639 |
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Ki | 800±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 |
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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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BDBM50141188 |
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n/a |
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Name | BDBM50141188 |
Synonyms: | 3,4-Dihydro-1H-isoquinoline-2-carboxylic acid (S)-5-((R)-1-cyclobutylaminooxalyl-butylcarbamoyl)-1-((R)-3-methyl-2-{(R)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-pyrrolidin-3-yl ester | CHEMBL287035 |
Type | Small organic molecule |
Emp. Form. | C40H54N8O8 |
Mol. Mass. | 774.9056 |
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)NC1CCC1 |
Structure |
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