Reaction Details |
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Target | Genome polyprotein/Non-structural protein 4A |
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Ligand | BDBM50143467 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_143636 (CHEMBL752796) |
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Ki | 250±n/a nM |
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Citation | Perni, RB; Farmer, LJ; Cottrell, KM; Court, JJ; Courtney, LF; Deininger, DD; Gates, CA; Harbeson, SL; Kim, JL; Lin, C; Lin, K; Luong, YP; Maxwell, JP; Murcko, MA; Pitlik, J; Rao, BG; Schairer, WC; Tung, RD; Van Drie, JH; Wilson, K; Thomson, JA Inhibitors of hepatitis C virus NS3.4A protease. Part 3: P2 proline variants. Bioorg Med Chem Lett14:1939-42 (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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BDBM50143467 |
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n/a |
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Name | BDBM50143467 |
Synonyms: | (4S,5R)-1-((R)-2-{2-Cyclohexyl-2-[(hydroxy-pyrazin-2-yl-methyl)-amino]-acetylamino}-3,3-dimethyl-butyryl)-3-cyclopentyl-pyrrolidine-2-carboxylic acid [1-((S)-(R)-cyclopropylaminooxalyl)-butyl]-amide | CHEMBL427489 |
Type | Small organic molecule |
Emp. Form. | C38H59N7O6 |
Mol. Mass. | 709.9184 |
SMILES | CCC[C@H](NC(=O)[C@@H]1[C@H](CCN1C(=O)[C@H](NC(=O)[C@H](NC(O)c1cnccn1)C1CCCCC1)C(C)(C)C)C1CCCC1)C(=O)C(=O)NC1CC1 |
Structure |
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