Reaction Details Report a problem with these data
Target
RNA-directed RNA polymerase
Ligand
BDBM50137863
Substrate
n/a
Meas. Tech.
ChEMBL_321538 (CHEMBL880598)
pH
7.5±n/a
IC50
17000±n/a nM
Comments
extracted
Citation
 Di Santo, R; Fermeglia, M; Ferrone, M; Paneni, MS; Costi, R; Artico, M; Roux, A; Gabriele, M; Tardif, KD; Siddiqui, A; Pricl, S Simple but highly effective three-dimensional chemical-feature-based pharmacophore model for diketo acid derivatives as hepatitis C virus RNA-dependent RNA polymerase inhibitors. J Med Chem 48:6304-14 (2005) [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:
BDBM50137863
Synonyms:
4-(3-Benzylamino-phenyl)-2,4-dioxo-butyric acid | CHEMBL367740 | CHEMBL371719 | CHEMBL492571
Type:
Small organic molecule
Emp. Form.:
C17H15NO4
Mol. Mass.:
297.3053
SMILES:
OC(=O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1
Structure:
Search PDB for entries with ligand similarity: