Reaction Details Report a problem with these data
Target
RNA-directed RNA polymerase
Ligand
BDBM50078109
Substrate
n/a
Meas. Tech.
ChEMBL_400597 (CHEMBL853550)
IC50
930±n/a nM
Citation
 Li, H; Tatlock, J; Linton, A; Gonzalez, J; Borchardt, A; Dragovich, P; Jewell, T; Prins, T; Zhou, R; Blazel, J; Parge, H; Love, R; Hickey, M; Doan, C; Shi, S; Duggal, R; Lewis, C; Fuhrman, S Identification and structure-based optimization of novel dihydropyrones as potent HCV RNA polymerase inhibitors. Bioorg Med Chem Lett 16:4834-8 (2006) [PubMed]  Article 
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:
BDBM50078109
Synonyms:
3-(4-Amino-2-tert-butyl-5-methyl-phenylsulfanyl)-6-cyclopentyl-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-5,6-dihydro-pyran-2-one | 6-(4-hydroxyphenethyl)-3-(4-amino-2-tert-butyl-5-methylphenylthio)-6-cyclopentyl-4-hydroxy-5,6-dihydropyran-2-one | CHEMBL37541
Type:
Small organic molecule
Emp. Form.:
C29H37NO4S
Mol. Mass.:
495.673
SMILES:
Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCC2)c(cc1N)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: