Target
Genome polyprotein [1027-1711]
Ligand
BDBM229562
Substrate
n/a
Meas. Tech.
Reporter Assay
Temperature
310.15±n/a K
EC50
3±2 nM
Comments
extracted
Citation
 Gillis, EPBowsher, MSScola, PM Hepatitis C virus inhibitors US Patent  US9334279 Publication Date 5/10/2016 
Target
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:
APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTATQTFLATCINGVCWTVYHGAGTRTIASPKGPVIQTYTNVDQDLVGWPAPQGSRSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPTGHAVGLFRAAVCTRGVAKAVDFIPVENLETTMRSPVFTDNSSPPAVPQSFQVAHLHAPTGSGKSTKVPAAYAAKGYKVLVLNPSVAATLGFGAYMSKAHGVDPNIRTGVRTITTGSPITYSTYGKFLADAGCSGGAYDIIICDECHSTDATSISGIGTVLDQAETAGARLVVLATATPPGSVTVSHPNIEEVALSTTGEIPFYGKAIPLEVIKGGRHLIFCHSKKKCDELAAKLVALGINAVAYYRGLDVSVIPTSGDVVVVSTDALMTGFTGDFDSVIDCNTCVTQTVDFSLDPTFTIETTTLPQDAVSRTQRRGRTGRGKPGIYRFVAPGERPSGMFDSSVLCECYDAGCAWYELTPAETTVRLRAYMNTPGLPVCQDHLGFWEGVFTGLTHIDAHFLSQTKQSGENFPYLVAYQATVCARAQAPPPSWDQMRKCLIRLKPTLHGPTPLLYRLGAVQNEVTLTHPITKYIMTCMSADLEVVTSTWVLVGGVLAALAAYCLSTGCVVIVGRIVLSGKPAIIPDREVLYQEFDEMEEC
  
Inhibitor
Name:
BDBM229562
Synonyms:
US9334279, 1038
Type:
Small organic molecule
Emp. Form.:
C47H57F3N6O11S2
Mol. Mass.:
1003.114
SMILES:
CC[C@@H]1OCCC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC1(CCCOC1)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(OC(C)C)cc1)-c1cncs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:7|
Structure:
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