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Target
Genome polyprotein
Ligand
BDBM50110000
Substrate
n/a
Meas. Tech.
ChEBML_143628
IC50
20±n/a nM
Citation
 Beevers, R; Carr, MG; Jones, PS; Jordan, S; Kay, PB; Lazell, RC; Raynham, TM Solution and solid-phase synthesis of potent inhibitors of hepatitis C virus NS3 proteinase. Bioorg Med Chem Lett 12:641-3 (2002) [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:
BDBM50110000
Synonyms:
(S)-N-[(S)-1-((S)-1-{(S)-1-[(S)-1-((S)-1-Aminooxalyl-pentylcarbamoyl)-3-methyl-butylcarbamoyl]-2,2-dimethyl-propylcarbamoyl}-2-o-tolyl-ethylcarbamoyl)-2-methyl-propyl]-3-(3-carboxy-propionylamino)-succinamic acid | CHEMBL348546
Type:
Small organic molecule
Emp. Form.:
C42H65N7O12
Mol. Mass.:
860.0052
SMILES:
CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(C)(C)C)C(=O)C(N)=O
Structure:
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