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TargetGenome polyprotein
LigandBDBM50023578
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1452511 (CHEMBL3362860)
IC50 6.6±n/a nM
Citation Parsy, CAlexandre, FRBrandt, GCaillet, CCappelle, SChaves, DConvard, TDerock, MGloux, DGriffon, YLallos, LLeroy, FLiuzzi, MLoi, AGMoulat, LMusiu, CRahali, HRoques, VSeifer, MStandring, DSurleraux, D Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease. Bioorg Med Chem Lett24:4444-9 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Genome polyprotein
Name:Genome polyprotein
Synonyms:Nonstructural protein NS3-4A
Type:PROTEIN
Mol. Mass.:71633.49
Organism:Hepatitis C virus
Description:ChEMBL_109716
Residue:674
Sequence:
SPITAYSQQTRGLLGCIITSLTGRDKNQVEGEVQVVSTATQSFLATCVNGVCWTVFHGAG
SKTLAGPKGPITQMYTNVDQDLVGWMAPPGARSMTPCTCGSSDLYLVTRHADVIPVRRRG
DGRGSLLSPRPVSYLKGSSGGPLLCPSGHVVGIFRAAVCTRGVAKAVDFVPVESMETTMR
SPVFTDNSSPPAVPQTFQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGA
YMSKAGTDPNIRTGVRTITTGAPITYSTYGKFLADGGCSGGAYDIICDECHSTDSTTLGI
GTVLDQAETAGARLVVLATATPPGSTVPHPNIEEVALSTTGEIPFYGKAIPIETIKGGRH
LIFCHSKKKCDELAGKLSALGLNAVAYYRGLDVSVIPTSGDVVVVATDALMTGYTGDFDS
VIDCNTCVTQTVDFSLDPTFTIETTTVPQDAVSRSQRRGRTGRGRGIYRFVTPGERPSGM
FDSSVLCECYDAGCAWYELTPAETTRLRAYLNTPGLPVCQDHLEFWEGVFTGLTIDAHFL
SQTKQAGDNFPYLVAYQATVCARAQAPPPSWDQMWKCLRLKPTLHGPTPLLYRLGAVQNE
ITLTHPITKIMTCMSADLEVVTSTWVLVGGVLAALAAYCLTTGSVVIVGRIILSGRPAVP
DREVLYEFDEMEEC
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50023578
n/a
NameBDBM50023578
Synonyms:CHEMBL3326829
TypeSmall organic molecule
Emp. Form.C38H48N6O7S2
Mol. Mass.764.954
SMILES[H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4c(C)c(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:48,@:7|
Structure
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