Reaction Details Report a problem with these data
Target
RNA-directed RNA polymerase
Ligand
BDBM50187227
Substrate
n/a
Meas. Tech.
ChEMBL_356302 (CHEMBL869357)
IC50
>20000±n/a nM
Citation
 Gopalsamy, A; Chopra, R; Lim, K; Ciszewski, G; Shi, M; Curran, KJ; Sukits, SF; Svenson, K; Bard, J; Ellingboe, JW; Agarwal, A; Krishnamurthy, G; Howe, AY; Orlowski, M; Feld, B; O'Connell, J; Mansour, TS Discovery of proline sulfonamides as potent and selective hepatitis C virus NS5b polymerase inhibitors. Evidence for a new NS5b polymerase binding site. J Med Chem 49:3052-5 (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:
BDBM50187227
Synonyms:
(S)-1-(2-acetamido-5-chloro-4-methylphenylsulfonyl)pyrrolidine-2-carboxylic acid | CHEMBL379117
Type:
Small organic molecule
Emp. Form.:
C14H17ClN2O5S
Mol. Mass.:
360.813
SMILES:
CC(=O)Nc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC[C@H]1C(O)=O
Structure:
Search PDB for entries with ligand similarity: