Target
Genome polyprotein [2420-2989,R2920E,R2963Q]
Ligand
BDBM35554
Substrate
poly(A)/oligo(U)18
Meas. Tech.
HCV RNA-Dependent RNA Polymerase Assay (IC50)
pH
7.5±n/a
Temperature
296.15±n/a K
IC50
100±n/a nM
Citation
 Ontoria, JMRydberg, EHDi Marco, STomei, LAttenni, BMalancona, SMartin Hernando, JIGennari, NKoch, UNarjes, FRowley, MSumma, VCarroll, SSOlsen, DBDe Francesco, RAltamura, SMigliaccio, GCarfì, A Identification and Biological Evaluation of a Series of 1H-Benzo[de]isoquinoline-1,3(2H)-diones as Hepatitis C Virus NS5B Polymerase Inhibitors. J Med Chem 52:5217-27 (2009) [PubMed]  Article 
Target
Name:
Genome polyprotein [2420-2989,R2920E,R2963Q]
Synonyms:
HCV NS5B Polymerase Mutant (R501E) | POLG_HCVBK
Type:
Mutant Enzyme
Mol. Mass.:
64253.67
Organism:
Hepatitis C virus genotype 1b (isolate BK) (HCV)
Description:
P26663[2420-2989,R2920E,R2963Q]
Residue:
578
Sequence:
SMSYTWTGALITPCAAEESKLPINALSNSLLRHHNMVYATTSRSAGLRQKKVTFDRLQVLDDHYRDVLKEMKAKASTVKAKLLSVEEACKLTPPHSAKSKFGYGAKDVRNLSSKAVNHIHSVWKDLLEDTVTPIDTTIMAKNEVFCVQPEKGGRKPARLIVFPDLGVRVCEKMALYDVVSTLPQVVMGSSYGFQYSPGQRVEFLVNTWKSKKNPMGFSYDTRCFDSTVTENDIRVEESIYQCCDLAPEARQAIKSLTERLYIGGPLTNSKGQNCGYRRCRASGVLTTSCGNTLTCYLKASAACRAAKLQDCTMLVNGDDLVVICESAGTQEDAASLRVFTEAMTRYSAPPGDPPQPEYDLELITSCSSNVSVAHDASGKRVYYLTRDPTTPLARAAWETARHTPVNSWLGNIIMYAPTLWARMILMTHFFSILLAQEQLEKALDCQIYGACYSIEPLDLPQIIERLHGLSAFSLHSYSPGEINRVASCLRKLGVPPLRVWEHRARSVRARLLSQGGRAATCGKYLFNWAVKTKLKLTPIPAASQLDLSGWFVAGYSGGDIYHSLSRARPRLEHHHHHH
  
Inhibitor
Name:
BDBM35554
Synonyms:
thiophene scaffold, 21
Type:
Small organic molecule
Emp. Form.:
C22H27NO3S
Mol. Mass.:
385.52
SMILES:
CC(C)N(C(=O)[C@H]1CC[C@H](C)CC1)c1cc(sc1C(O)=O)-c1ccccc1 |r,wU:9.9,wD:6.5,(-.82,9.12,;-1.74,7.89,;-3.27,8.07,;-1.13,6.48,;.41,6.48,;1.18,5.14,;1.18,7.81,;2.71,7.87,;3.43,9.24,;2.6,10.54,;3.37,11.87,;1.06,10.47,;.35,9.11,;-2.06,5.24,;-3.6,5.26,;-4.09,3.8,;-2.86,2.88,;-1.6,3.77,;-.14,3.28,;1.02,4.29,;.16,1.77,;-5.43,3.03,;-6.76,3.8,;-8.09,3.03,;-8.09,1.49,;-6.76,.72,;-5.43,1.49,)|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
poly(A)/oligo(U)18
Synonyms:
n/a
Type:
homopolymeric template/primer
Mol. Mass.:
358.43
Organism:
n/a
Description:
UTP/3H-UTP as co-substrate.
Residue:
3
Sequence:
NA