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Target
RNA-directed RNA polymerase
Ligand
BDBM50157181
Substrate
n/a
Meas. Tech.
ChEMBL_306368 (CHEMBL829165)
IC50
5700±n/a nM
Citation
 Shipps, GW; Deng, Y; Wang, T; Popovici-Muller, J; Curran, PJ; Rosner, KE; Cooper, AB; Girijavallabhan, V; Butkiewicz, N; Cable, M Aminothiazole inhibitors of HCV RNA polymerase. Bioorg Med Chem Lett 15:115-9 (2004) [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:
BDBM50157181
Synonyms:
2-[(R)-(4-Methyl-cyclohexyl)-(4-phenoxy-benzoyl)-amino]-thiazole-4-carboxylic acid
Type:
Small organic molecule
Emp. Form.:
C24H24N2O4S
Mol. Mass.:
436.523
SMILES:
C[C@H]1CCC(CC1)N(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc(cs1)C(O)=O |wD:1.0,(1.94,-5.48,;1.94,-3.93,;3.27,-3.17,;3.27,-1.63,;1.94,-.85,;.59,-1.63,;.59,-3.17,;1.94,.68,;.59,1.46,;.59,3,;-.72,.68,;-.72,-.85,;-2.05,-1.63,;-3.4,-.85,;-4.71,-1.64,;-6.07,-.89,;-6.08,.65,;-7.4,1.42,;-8.75,.61,;-8.74,-.93,;-7.39,-1.68,;-3.4,.68,;-2.05,1.46,;3.27,1.46,;4.74,.98,;5.63,2.23,;4.74,3.47,;3.27,3,;7.17,2.24,;7.94,3.59,;7.94,.93,)|
Structure:
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