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Target
Genome polyprotein
Ligand
BDBM50125476
Substrate
n/a
Meas. Tech.
ChEBML_79051
IC50
60±n/a nM
Citation
 Zhang, X; Schmitt, AC; Jiang, W; Wasserman, Z; Decicco, CP Design and synthesis of potent, non-peptide inhibitors of HCV NS3 protease. Bioorg Med Chem Lett 13:1157-60 (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:
BDBM50125476
Synonyms:
(6S,8R)-1-Chloro-8-(4-methyl-benzyl)-4-oxo-3-(3-trifluoromethyl-benzylamino)-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [(R)-1-((R)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-but-3-enyl]-amide | CHEMBL278637
Type:
Small organic molecule
Emp. Form.:
C38H43BClF3N4O4
Mol. Mass.:
723.032
SMILES:
Cc1ccc(C[C@@H]2C[C@@H](C(=O)N[C@@H](CC=C)B3OC4CC5CC(C5(C)C)[C@@]4(C)O3)n3c2c(Cl)nc(NCc2cccc(c2)C(F)(F)F)c3=O)cc1
Structure:
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