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Target
RNA-directed RNA polymerase
Ligand
BDBM50495952
Substrate
n/a
Meas. Tech.
ChEMBL_1590555 (CHEMBL3828932)
Ki
130±n/a nM
Citation
 Jonckers, TH; Tahri, A; Vijgen, L; Berke, JM; Lachau-Durand, S; Stoops, B; Snoeys, J; Leclercq, L; Tambuyzer, L; Lin, TI; Simmen, K; Raboisson, P Discovery of 1-((2R,4aR,6R,7R,7aR)-2-Isopropoxy-2-oxidodihydro-4H,6H-spiro[furo[3,2-d][1,3,2]dioxaphosphinine-7,2'-oxetan]-6-yl)pyrimidine-2,4(1H,3H)-dione (JNJ-54257099), a 3'-5'-Cyclic Phosphate Ester Prodrug of 2'-Deoxy-2'-Spirooxetane Uridine Triphosphate Useful for HCV Inhibition. J Med Chem 59:5790-8 (2016) [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:
BDBM50495952
Synonyms:
CHEMBL3121489
Type:
Small organic molecule
Emp. Form.:
C11H17N2O15P3
Mol. Mass.:
510.1784
SMILES:
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@]11CCO1 |r|
Structure:
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