3QGD: Crystal Structure Of The Hepatitis C Virus Ns5b Rna-Dependent Rna Polymerase Complex With (2e)-3-(4-{[(1-{[(13-Cyclohexyl-6-Oxo-6,7- Dihydro-5h-Indolo[1,2-D][1,4]benzodiazepin-10-Yl) Carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-Enoic Acid And (2r)-4-(2,6-Dimethoxypyrimidin-4-Yl)-1-[(4-Ethylphenyl)sulfonyl]- N-(4-Methoxybenzyl)piperazine-2-Carboxamide

Structure based rationales for the activities of potent N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamide inhibitors of the hepatitis C viral polymerase are described herein. These compounds bind to the hepatitis C virus non-structural protein 5B (NS5B), and co-crystal structures of select examples from this series with NS5B are reported. Comparison of co-crystal structures of a potent analog with both NS5B genotype 1a and genotype 1b provides a possible explanation for the genotype-selectivity observed with this compound class and suggests opportunities for the further optimization of the series.
PDB ID: 3QGDDownload
MMDB ID: 90032
PDB Deposition Date: 2011/1/24
Updated in MMDB: 2011/05
Experimental Method:
x-ray diffraction
Resolution: 2.6  Å
Source Organism:
Similar Structures:
Biological Unit for 3QGD: monomeric; determined by author
Molecular Components in 3QGD
Label Count Molecule
Protein (1 molecule)
RNA-directed RNA Polymerase
Molecule annotation
Chemicals (3 molecules)
* Click molecule labels to explore molecular sequence information.

Citing MMDB