Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50150605
Substrate
n/a
Meas. Tech.
ChEMBL_302912 (CHEMBL830372)
Ki
110±n/a nM
Citation
 Sun, DX; Liu, L; Heinz, B; Kolykhalov, A; Lamar, J; Johnson, RB; Wang, QM; Yip, Y; Chen, SH P4 cap modified tetrapeptidyl alpha-ketoamides as potent HCV NS3 protease inhibitors. Bioorg Med Chem Lett 14:4333-8 (2004) [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:
BDBM50150605
Synonyms:
CHEMBL360805 | Naphthalene-2-carboxylic acid (S)-1-{(S)-2-[(S)-2-(5-carboxy-pentanoylamino)-3-methyl-butyrylamino]-3-methyl-butyryl}-5-(1-formyl-propylcarbamoyl)-pyrrolidin-3-yl ester
Type:
Small organic molecule
Emp. Form.:
C36H48N4O9
Mol. Mass.:
680.7877
SMILES:
CCC(NC(=O)[C@@H]1CC(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCC(O)=O)C(C)C)C(C)C)OC(=O)c1ccc2ccccc2c1)C=O
Structure:
Search PDB for entries with ligand similarity: