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Target
RNA-directed RNA polymerase
Ligand
BDBM50454876
Substrate
n/a
Meas. Tech.
ChEMBL_1292764 (CHEMBL3122265)
IC50
160±n/a nM
Citation
 Maynard, A; Crosby, RM; Ellis, B; Hamatake, R; Hong, Z; Johns, BA; Kahler, KM; Koble, C; Leivers, A; Leivers, MR; Mathis, A; Peat, AJ; Pouliot, JJ; Roberts, CD; Samano, V; Schmidt, RM; Smith, GK; Spaltenstein, A; Stewart, EL; Thommes, P; Turner, EM; Voitenleitner, C; Walker, JT; Waitt, G; Weatherhead, J; Weaver, K; Williams, S; Wright, L; Xiong, ZZ; Haigh, D; Shotwell, JB Discovery of a potent boronic acid derived inhibitor of the HCV RNA-dependent RNA polymerase. J Med Chem 57:1902-13 (2014) [PubMed]  Article 
Target
Name:
RNA-directed RNA polymerase
Synonyms:
2.7.7.48 | NS5b | RNA-directed RNA polymerase
Type:
PROTEIN
Mol. Mass.:
65779.30
Organism:
Hepacivirus C
Description:
ChEMBL_118447
Residue:
591
Sequence:
SMSYTWTGALITPCAAEESKLPINALSNSLLRHHNMVYATTSRSASLRQKKVTFDRLQVLDDHYRDVLKEMKAKASTVKAKLLSVEEACKLTPPHSAKSKFGYGAKDVRNLSSKAVNHIRSVWKDLLEDTETPIDTTIMAKNEVFCVQPEKGGRKPARLIVFPDLGVRVCEKMALYDVVSTLPQAVMGSSYGFQYSPGQRVEFLVNTWKSKKCPMGFSYDTRCFDSTVTENDIRVEESIYQCCDLAPEARQAIRSLTERLYIGGPLTNSKGQNCGYRRCRASGVLTTSCGNTLTCYLKASAACRAAKLQDCTMLVCGDDLVVICESAGTQEDAASLRAFTEAMTRYSAPPGDPPQPEYDLELITSCSSNVSVAHDASGKRVYYLTRDPTTPLARAAWETARHTPVNSWLGNIIMYAPTLWARMILMTHFFSILLAQEQLEKALDCQIYGACYSIEPLDLPQIIQRLHGLSAFSLHSYSPGEINRVASCLRKLGVPPLRVWRHRARSVRARLLSQGGRAATCGKYLFNWAVRTKLKLTPIPAASQLDLSSWFVAGYSGGDIYHSLSRARPRWFMWCLLLLSVGVGIYLLPNR
  
Inhibitor
Name:
BDBM50454876
Synonyms:
HCV 796 | HCV-796 | Nesbuvir
Type:
Small organic molecule
Emp. Form.:
C22H23FN2O5S
Mol. Mass.:
446.492
SMILES:
CNC(=O)c1c(oc2cc(N(CCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(F)cc1
Structure:
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