Reaction Details Report a problem with these data
Target
RNA-directed RNA polymerase
Ligand
BDBM50142043
Substrate
n/a
Meas. Tech.
ChEBML_143775
IC50
19±n/a nM
Citation
Beaulieu, PL; Bös, M; Bousquet, Y; DeRoy, P; Fazal, G; Gauthier, J; Gillard, J; Goulet, S; McKercher, G; Poupart, MA; Valois, S; Kukolj, G Non-nucleoside inhibitors of the hepatitis C virus NS5B polymerase: discovery of benzimidazole 5-carboxylic amide derivatives with low-nanomolar potency. Bioorg Med Chem Lett 14:967-71 (2004) [PubMed] Article
More Info.:
Target
Name:
RNA-directed RNA polymerase
Synonyms:
Hepatitis C virus NS5B RNA-dependent RNA polymerase | NS5B protein
Type:
Protein
Mol. Mass.:
25173.95
Organism:
Hepatitis C virus
Description:
Q8JXU8
Residue:
229
Sequence:
RTEEAIYQCCDLDPQARVAIRSLTERLYVGGPLTNSRGENCGYRRRASGVLTTSCGNTLTCYIKAQAACRAAGRQDCTMLVCGDDLVVICESAGVQEDAASLRAFTEAMTRYSAPPGDPPQPEYDLELITSCSSNVSVAHDGAGKRVYYLTRDPTTPLARAAWETARHTPVNSWLGNIIMFAPTLWVRMIMLTHFFSVLIARDQLEQALDCEIYGACYSIEPLLPPIIQ
Inhibitor
Name:
BDBM50142043
Synonyms:
(2S)-3-(5-(carboxymethoxy)-1H-indol-3-yl)-2-(1-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoic acid | (S)-3-(5-(carboxymethoxy)-1H-indol-3-yl)-2-(1-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoic acid | (S)-3-(5-Carboxymethoxy-1H-indol-3-yl)-2-[(1-cyclohexyl-2-furan-3-yl-1H-benzoimidazole-5-carbonyl)-amino]-propionic acid | CHEMBL366574
Type:
Small organic molecule
Emp. Form.:
C31H30N4O7
Mol. Mass.:
570.5925
SMILES:
OC(=O)COc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1