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TargetHepatitis C virus serine protease, NS3/NS4A
LigandBDBM50096733
Substrate/Competitorn/a
Meas. Tech.ChEMBL_144673
IC50 7±n/a nM
Citation Bennett, JMCampbell, ADCampbell, AJCarr, MGDunsdon, RMGreening, JRHurst, DNJennings, NSJones, PSJordan, SKay, PBO'Brien, MAKing-Underwood, JRaynham, TMWilkinson, CSWilkinson, TCWilson, FX The identification of alpha-ketoamides as potent inhibitors of hepatitis C virus NS3-4A proteinase. Bioorg Med Chem Lett11:355-7 (2001) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Hepatitis C virus serine protease, NS3/NS4A
Name:Hepatitis C virus serine protease, NS3/NS4A
Synonyms:n/a
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of EBI is 143634
Components:This complex has 2 components.
Component 1
Name:Hepatitis C virus serine protease, NS3/NS4A
Synonyms:Hepatitis C virus NS3 protease/helicase
Type:Protein
Mol. Mass.:67067.41
Organism:Hepatitis C virus
Description:A3EZI9
Residue:631
Sequence:
APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTAAQTFLATCINGVCWTVYHGAG
TRTIASSKGPVIQMYTNVDQDLVGWPAPQGARSLTPCTCGSSDLYLVTRHADVIPVRRRG
DGRGSLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVEGLETTMR
SPVFSDNSSPPAVPQSYQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGA
YMSKAHGIDPNIRTGVRTITTGSPITYSTYGKFLADGGCSGGAYDIIICDECHSTDATSI
LGIGTVLDQAETAGARLTVLATATPPGSVTVPHPNIEEVALSTTGEIPFYGKAIPLEAIK
GGRHLIFCHSKKKCDELAAKLVALGVNAVAYYRGLDVSVIPASGDVVVVATDALMTGFTG
DFDSVIDCNTCVTQTVDFSLDPTFTIETTTLPQDAVSRTQRRGRTGRGKPGIYRFVTPGE
RPSGMFDSSVLCECYDAGCAWYELTPAETTVRLRAYMNTPGLPVCQDHLEFWEGVFTGLT
HIDAHFLSQTKQSGENLPYLVAYQATVCARAQAPPPSWDQMWKCLIRLKPTLHGPTPLLY
RLGAVQNEITLTHPITKYIMTCMSADLEVVT
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Component 2
Name:Hepatitis C virus serine protease, NS3/NS4A
Synonyms:Hepatitis C virus NS4A protein | Non-structural protein 4A
Type:PROTEIN
Mol. Mass.:5762.65
Organism:Hepatitis C virus
Description:ChEMBL_305334
Residue:54
Sequence:
STWVLLGGVLAALAAYCLSVGCVVIVGYIELGGKPALVPDKEVCYQQYDEMEEC
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BDBM50096733
NameBDBM50096733
Synonyms:4-[3-Carboxy-2-(3-carboxy-propionylamino)-propionylamino]-4-[1-(2,2-dimethyl-1-{3-methyl-1-[3,3,3-trifluoro-1-(1-phenyl-propylaminooxalyl)-propylcarbamoyl]-butylcarbamoyl}-propylcarbamoyl)-2-o-tolyl-ethylcarbamoyl]-butyric acid | CHEMBL405304
TypeSmall organic molecule
Emp. Form.C49H66F3N7O14
Mol. Mass.1034.082
SMILESCC[C@H](NC(=O)C(=O)[C@@H](CC(F)(F)F)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)c1ccccc1
Structure
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n/a