Reaction Details Report a problem with these data
Target
Genome polyprotein [1028-1200,1251-1711]
Ligand
BDBM229561
Substrate
n/a
EC50
0.3±0.2 nM
Citation
 Gillis, EP; Bowsher, MS; Scola, PM Hepatitis C virus inhibitors US Patent  US9334279 Publication Date 5/10/2016 
Target
Name:
Genome polyprotein [1028-1200,1251-1711]
Synonyms:
NS3/4A protease | POLG_HCVJ4
Type:
n/a
Mol. Mass.:
67564.11
Organism:
Hepatitis C virus genotype 1b (strain J4L2S) (HCV)
Description:
amino acids 1027 to 1711
Residue:
634
Sequence:
PITAYSQQTRGVLGCIITSLTGRDKNQVEGEVQVVSTATQSFLATCINGVCWTVYHGAGSKTLAGPKGPITQMYTNVDLDLVGWQAPPGARSMTPCSCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPVSYLKGSSGGPLLCPSGHVVGVFRAAVCTRGVAKAVDFIPVESVLVLNPSVAATLGFGAYMSKAHGIDPNIRTGVRTITTGGSITYSTYGKFLADGGCSGGAYDIIICDECHSTDSTTILGIGTVLDQAETAGARLVVLATATPPGSVTVPHPNIEEIGLSNNGEIPFYGKAIPIEAIKGGRHLIFCHSKKKCDELAAKLTGLGLNAVAYYRGLDVSVIPPIGDVVVVATDALMTGFTGDFDSVIDCNTCVTQTVDFSLDPTFTIETTTVPQDAVSRSQRRGRTGRGRSGIYRFVTPGERPSGMFDSSVLCECYDAGCAWYELTPAETSVRLRAYLNTPGLPVCQDHLEFWESVFTGLTHIDAHFLSQTKQAGDNFPYLVAYQATVCARAQAPPPSWDQMWKCLIRLKPTLHGPTPLLYRLGAVQNEVILTHPITKYIMACMSADLEVVTSTWVLVGGVLAALAAYCLTTGSVVIVGRIILSGKPAVVPDREVLYQEFDEMEEC
  
Inhibitor
Name:
BDBM229561
Synonyms:
US9334279, 1037
Type:
Small organic molecule
Emp. Form.:
C50H61F3N6O11S
Mol. Mass.:
1011.113
SMILES:
CC[C@@H]1O[C@H](C)CC\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)-c1ccccn1)-c1ccc(OC(C)C)cc1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:8|
Structure:
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