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Target
Genome polyprotein
Ligand
BDBM50169413
Substrate
n/a
Meas. Tech.
ChEMBL_305506 (CHEMBL831108)
IC50
20±n/a nM
Citation
 Han, W; Jiang, X; Hu, Z; Wasserman, ZR; Decicco, 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:
BDBM50169413
Synonyms:
CHEMBL188984 | Pyrazine-2-carboxylic acid {(S)-1-[1-((S)-2-cyclohexyl-1-{(S)-(S)-3,3-difluoro-1-[2-(5-hexanoylamino-[1,3,4]thiadiazole-2-sulfonylamino)-2-oxo-ethylaminooxalyl]-propylcarbamoyl}-ethylcarbamoyl)-2-methyl-butylcarbamoyl]-3-methyl-butyl}-amide
Type:
Small organic molecule
Emp. Form.:
C41H61F2N11O10S2
Mol. Mass.:
970.118
SMILES:
CCCCCC(=O)Nc1nnc(s1)S(=O)(=O)NC(=O)CNC(=O)C(=O)[C@H](CC(F)F)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)[C@@H](C)CC
Structure:
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