Target
Genome polyprotein
Ligand
BDBM50169415
Substrate
n/a
Meas. Tech.
ChEMBL_305506 (CHEMBL831108)
IC50
60±n/a nM
Citation
 Han, WJiang, XHu, ZWasserman, ZRDecicco, CP Investigation of glycine alpha-ketoamide HCV NS3 protease inhibitors: effect of carboxylic acid isosteres. Bioorg Med Chem Lett 15:3487-90 (2005) [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:
BDBM50169415
Synonyms:
CHEMBL188449 | Pyrazine-2-carboxylic acid {(S)-1-[1-((S)-1-{(S)-(S)-1-[2-(biphenyl-3-sulfonylamino)-2-oxo-ethylaminooxalyl]-3,3-difluoro-propylcarbamoyl}-2-cyclohexyl-ethylcarbamoyl)-2-methyl-butylcarbamoyl]-3-methyl-butyl}-amide
Type:
Small organic molecule
Emp. Form.:
C45H58F2N8O9S
Mol. Mass.:
925.052
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)NCC(=O)NS(=O)(=O)c1cccc(c1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: