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TargetGenome polyprotein/Non-structural protein 4A
LigandBDBM50458706
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1764525 (CHEMBL4199772)
Ki 22±n/a nM
Citation Rusere, LNMatthew, ANLockbaum, GJJahangir, MNewton, APetropoulos, CJHuang, WKurt Yilmaz, NSchiffer, CAAli, A Quinoxaline-Based Linear HCV NS3/4A Protease Inhibitors Exhibit Potent Activity against Drug Resistant Variants. ACS Med Chem Lett9:691-696 (2018) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Genome polyprotein/Non-structural protein 4A
Name:Genome polyprotein/Non-structural protein 4A
Synonyms:Hepatitis C virus serine protease, NS3/NS4A
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 1969955
Components:This complex has 2 components.
Component 1
Name:Non-structural protein 4A
Synonyms:Hepatitis C virus NS4A protein | Hepatitis C virus serine protease, NS3/NS4A | 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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Component 2
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:
APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTAAQTFLATCINGVCWTVYHGAG
TRTIASSKGPVIQMYTNVDQDLVGWPAPQGARSLTPCTCGSSDLYLVTRHADVIPVRRRG
DGRGSLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVEGLETTMR
SPVFSDNSSPPAVPQSYQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGA
YMSKAHGIDPNIRTGVRTITTGSPITYSTYGKFLADGGCSGGAYDIIICDECHSTDATSI
LGIGTVLDQAETAGARLTVLATATPPGSVTVPHPNIEEVALSTTGEIPFYGKAIPLEAIK
GGRHLIFCHSKKKCDELAAKLVALGVNAVAYYRGLDVSVIPASGDVVVVATDALMTGFTG
DFDSVIDCNTCVTQTVDFSLDPTFTIETTTLPQDAVSRTQRRGRTGRGKPGIYRFVTPGE
RPSGMFDSSVLCECYDAGCAWYELTPAETTVRLRAYMNTPGLPVCQDHLEFWEGVFTGLT
HIDAHFLSQTKQSGENLPYLVAYQATVCARAQAPPPSWDQMWKCLIRLKPTLHGPTPLLY
RLGAVQNEITLTHPITKYIMTCMSADLEVVT
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BDBM50458706
n/a
NameBDBM50458706
Synonyms:CHEMBL4202535
TypeSmall organic molecule
Emp. Form.C37H47F3N6O9S
Mol. Mass.808.864
SMILESCOc1ccc2nc(c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3(C)CC3)nc2c1)C(F)(F)F |r|
Structure
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