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Target
Genome polyprotein
Ligand
BDBM50137962
Substrate
n/a
Meas. Tech.
ChEBML_143470
IC50
13±n/a nM
Citation
 Goudreau, N; Cameron, DR; Bonneau, P; Gorys, V; Plouffe, C; Poirier, M; Lamarre, D; Llinas-Brunet, M NMR structural characterization of peptide inhibitors bound to the Hepatitis C virus NS3 protease: design of a new P2 substituent. J Med Chem 47:123-32 (2003) [PubMed]  Article 
Target
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:
APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTAAQTFLATCINGVCWTVYHGAGTRTIASSKGPVIQMYTNVDQDLVGWPAPQGARSLTPCTCGSSDLYLVTRHADVIPVRRRGDGRGSLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVEGLETTMRSPVFSDNSSPPAVPQSYQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGAYMSKAHGIDPNIRTGVRTITTGSPITYSTYGKFLADGGCSGGAYDIIICDECHSTDATSILGIGTVLDQAETAGARLTVLATATPPGSVTVPHPNIEEVALSTTGEIPFYGKAIPLEAIKGGRHLIFCHSKKKCDELAAKLVALGVNAVAYYRGLDVSVIPASGDVVVVATDALMTGFTGDFDSVIDCNTCVTQTVDFSLDPTFTIETTTLPQDAVSRTQRRGRTGRGKPGIYRFVTPGERPSGMFDSSVLCECYDAGCAWYELTPAETTVRLRAYMNTPGLPVCQDHLEFWEGVFTGLTHIDAHFLSQTKQSGENLPYLVAYQATVCARAQAPPPSWDQMWKCLIRLKPTLHGPTPLLYRLGAVQNEITLTHPITKYIMTCMSADLEVVT
  
Inhibitor
Name:
BDBM50137962
Synonyms:
(1R,2S)-1-((3R,5S)-1-((S)-2-((S)-2-acetamido-2-cyclohexylacetamido)-3-methylbutanoyl)-3-(2-phenylquinolin-4-yloxy)pyrrolidine-5-carboxamido)-2-vinylcyclopropanecarboxylic acid | 1-{[(R)-(S)-1-[(S)-2-((S)-2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-((S)-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid | 1-{[(R)-(S)-1-[(S)-2-((S)-2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid | CHEMBL84319
Type:
Small organic molecule
Emp. Form.:
C41H49N5O7
Mol. Mass.:
723.8571
SMILES:
CC(C)[C@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(O)=O)Oc1cc(nc2ccccc12)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: