Reaction Details Report a problem with these data
Target
Genome polyprotein [1028-1200,1251-1711]
Ligand
BDBM229556
Substrate
n/a
EC50
20±15 nM
Citation
Gillis, EP; Bowsher, MS; Scola, PM Hepatitis C virus inhibitors US Patent US9334279 Publication Date 5/10/2016
More Info.:
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:
BDBM229556
Synonyms:
US9334279, 1032 | US9334279, 1061
Type:
Small organic molecule
Emp. Form.:
C37H47F3N6O8S2
Mol. Mass.:
824.93
SMILES:
C[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(ccn1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:4|