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TargetHepatitis C virus serine protease, NS3/NS4A
LigandBDBM50131397
Substrate/Competitorn/a
Meas. Tech.ChEBML_143492
IC50 180±n/a nM
Citation Orvieto, FKoch, UMatassa, VGMuraglia, E Novel, potent phenethylamide inhibitors of the hepatitis C virus (HCV) NS3 protease: probing the role of P2 aryloxyprolines with hybrid structures. Bioorg Med Chem Lett13:2745-8 (2003) [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: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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50131397
NameBDBM50131397
Synonyms:2-{[(R)-1-((S)-2-tert-Butoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-4,4-difluoro-butyric acid | CHEMBL94003
TypeSmall organic molecule
Emp. Form.C36H44F2N4O8
Mol. Mass.698.7534
SMILESCOc1ccc2c(O[C@@H]3CC(N(C3)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NC(CC(F)F)C(O)=O)cc(nc2c1)-c1ccccc1
Structure
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