Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetGenome polyprotein [1027-1711]
LigandBDBM229539
Substrate/Competitorn/a
Meas. Tech.Reporter Assay
Temperature310.15±n/a K
EC50 20±15 nM
Commentsextracted
Citation Gillis, EPBowsher, MSScola, PM Hepatitis C virus inhibitors US Patent US9334279 Publication Date 5/10/2016
More Info.:Get all data from this article,  Assay Method
 
Genome polyprotein [1027-1711]
Name:Genome polyprotein [1027-1711]
Synonyms:NS3-NS4A Protease | NS3/4A protease | POLG_HCV77
Type:n/a
Mol. Mass.:72913.15
Organism:Hepatitis C virus genotype 1a (strain H77) (HCV)
Description:amino acids 1027 to 1711
Residue:685
Sequence:
APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTATQTFLATCINGVCWTVYHGAG
TRTIASPKGPVIQTYTNVDQDLVGWPAPQGSRSLTPCTCGSSDLYLVTRHADVIPVRRRG
DSRGSLLSPRPISYLKGSSGGPLLCPTGHAVGLFRAAVCTRGVAKAVDFIPVENLETTMR
SPVFTDNSSPPAVPQSFQVAHLHAPTGSGKSTKVPAAYAAKGYKVLVLNPSVAATLGFGA
YMSKAHGVDPNIRTGVRTITTGSPITYSTYGKFLADAGCSGGAYDIIICDECHSTDATSI
SGIGTVLDQAETAGARLVVLATATPPGSVTVSHPNIEEVALSTTGEIPFYGKAIPLEVIK
GGRHLIFCHSKKKCDELAAKLVALGINAVAYYRGLDVSVIPTSGDVVVVSTDALMTGFTG
DFDSVIDCNTCVTQTVDFSLDPTFTIETTTLPQDAVSRTQRRGRTGRGKPGIYRFVAPGE
RPSGMFDSSVLCECYDAGCAWYELTPAETTVRLRAYMNTPGLPVCQDHLGFWEGVFTGLT
HIDAHFLSQTKQSGENFPYLVAYQATVCARAQAPPPSWDQMRKCLIRLKPTLHGPTPLLY
RLGAVQNEVTLTHPITKYIMTCMSADLEVVTSTWVLVGGVLAALAAYCLSTGCVVIVGRI
VLSGKPAIIPDREVLYQEFDEMEEC
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM229539
n/a
NameBDBM229539
Synonyms:US9334279, 1015
TypeSmall organic molecule
Emp. Form.C38H49F3N6O8S2
Mol. Mass.838.956
SMILESC[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(C)nc(c1)-c1cncs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:4|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: