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Target
RNA-directed RNA polymerase
Ligand
BDBM50157178
Substrate
n/a
Meas. Tech.
ChEMBL_306368 (CHEMBL829165)
IC50
4700±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:
BDBM50157178
Synonyms:
2-[(R)-(4-tert-Butyl-cyclohexyl)-(4-phenoxy-benzoyl)-amino]-thiazole-4-carboxylic acid
Type:
Small organic molecule
Emp. Form.:
C27H30N2O4S
Mol. Mass.:
478.603
SMILES:
CC(C)(C)[C@H]1CCC(CC1)N(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc(cs1)C(O)=O |wD:4.3,(3.31,-4.95,;1.76,-4.95,;.22,-4.95,;1.76,-6.49,;1.76,-3.41,;3.09,-2.64,;3.09,-1.1,;1.76,-.33,;.43,-1.1,;.43,-2.64,;1.76,1.21,;.43,1.98,;.43,3.54,;-.9,1.21,;-2.23,1.98,;-3.56,1.21,;-3.56,-.33,;-4.89,-1.12,;-6.25,-.37,;-6.27,1.17,;-7.58,1.95,;-8.95,1.14,;-8.93,-.4,;-7.58,-1.15,;-2.23,-1.1,;-.9,-.33,;3.09,1.98,;4.56,1.52,;5.44,2.77,;4.56,4.01,;3.09,3.54,;6.98,2.77,;7.75,4.12,;7.75,1.45,)|
Structure:
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