Reaction Details |
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Target | Genome polyprotein |
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Ligand | BDBM50110001 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_143628 |
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IC50 | 90±n/a nM |
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Citation | Beevers, R; Carr, MG; Jones, PS; Jordan, S; Kay, PB; Lazell, RC; Raynham, TM Solution and solid-phase synthesis of potent inhibitors of hepatitis C virus NS3 proteinase. Bioorg Med Chem Lett12:641-3 (2002) [PubMed] |
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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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BDBM50110001 |
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n/a |
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Name | BDBM50110001 |
Synonyms: | (S)-4-((S)-1-{(S)-1-[(S)-1-((S)-1-Aminooxalyl-pentylcarbamoyl)-3-methyl-butylcarbamoyl]-2,2-dimethyl-propylcarbamoyl}-2-o-tolyl-ethylcarbamoyl)-4-[(S)-3-carboxy-2-(2-naphthalen-2-yl-acetylamino)-propionylamino]-butyric acid | CHEMBL435436 |
Type | Small organic molecule |
Emp. Form. | C50H67N7O12 |
Mol. Mass. | 958.1067 |
SMILES | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc2ccccc2c1)C(C)(C)C)C(=O)C(N)=O |
Structure |
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