Reaction Details Report a problem with these data
Target
RNA-directed RNA polymerase
Ligand
BDBM50181615
Substrate
n/a
Meas. Tech.
ChEMBL_330651 (CHEMBL867029)
IC50
44±n/a nM
Citation
Tedesco, R; Shaw, AN; Bambal, R; Chai, D; Concha, NO; Darcy, MG; Dhanak, D; Fitch, DM; Gates, A; Gerhardt, WG; Halegoua, DL; Han, C; Hofmann, GA; Johnston, VK; Kaura, AC; Liu, N; Keenan, RM; Lin-Goerke, J; Sarisky, RT; Wiggall, KJ; Zimmerman, MN; Duffy, KJ 3-(1,1-dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinones, potent inhibitors of hepatitis C virus RNA-dependent RNA polymerase. J Med Chem 49:971-83 (2006) [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:
BDBM50181615
Synonyms:
3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-yl)-4-hydroxy-1-(4,4,4-trifluoro-3-methylbutyl)-1H-quinolin-2-one | CHEMBL202165
Type:
Small organic molecule
Emp. Form.:
C21H18F3N3O4S
Mol. Mass.:
465.446
SMILES:
CC(CCn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O)C(F)(F)F |t:15|