Reaction Details |
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Target | Genome polyprotein/Non-structural protein 4A |
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Ligand | BDBM50135438 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_143629 (CHEMBL752790) |
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Ki | 3100±n/a nM |
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Citation | Perni, RB; Britt, SD; Court, JC; Courtney, LF; Deininger, DD; Farmer, LJ; Gates, CA; Harbeson, SL; Kim, JL; Landro, JA; Levin, RB; Luong, YP; O'Malley, ET; Pitlik, J; Rao, BG; Schairer, WC; Thomson, JA; Tung, RD; Van Drie, JH; Wei, Y Inhibitors of hepatitis C virus NS3.4A protease 1. Non-charged tetrapeptide variants. Bioorg Med Chem Lett13:4059-63 (2003) [PubMed] |
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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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BDBM50135438 |
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n/a |
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Name | BDBM50135438 |
Synonyms: | CHEMBL339012 | Pyrazine-2-carboxylic acid ((S)-1-{(S)-1-[(2S,4R)-4-benzyloxy-2-(3,3,3-trifluoro-1-formyl-propylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-propyl)-amide |
Type | Small organic molecule |
Emp. Form. | C31H39F3N6O6 |
Mol. Mass. | 648.6732 |
SMILES | CC(C)[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NC(CC(F)(F)F)C=O)OCc1ccccc1 |
Structure |
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