Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50103852
Substrate
n/a
Meas. Tech.
ChEBML_143485
IC50
29000±n/a nM
Citation
 Yeung, KS; Meanwell, NA; Qiu, Z; Hernandez, D; Zhang, S; McPhee, F; Weinheimer, S; Clark, JM; Janc, JW Structure-activity relationship studies of a bisbenzimidazole-based, Zn(2+)-dependent inhibitor of HCV NS3 serine protease. Bioorg Med Chem Lett 11:2355-9 (2001) [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:
BDBM50103852
Synonyms:
2-(4-((S)-Benzyloxycarbonyl)-4-{[2-(5-carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-methyl-3H-benzoimidazole-5-carbonyl]-amino}-butyrylsulfamoyl)-benzoic acid methyl ester | CHEMBL310429
Type:
Small organic molecule
Emp. Form.:
C38H35N7O9S
Mol. Mass.:
765.791
SMILES:
COC(=O)c1ccccc1S(=O)(=O)NC(=O)CC[C@H](NC(=O)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=O)n(C)c2c1)C(=O)OCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: