4KHM: Hcv Ns5b Gt1a With Gsk5852

A boronic acid moiety was found to be a critical pharmacophore for enhanced in vitro potency against wild-type hepatitis C replicons and known clinical polymorphic and resistant HCV mutant replicons. The synthesis, optimization, and structure-activity relationships associated with inhibition of HCV replication in a subgenomic replication system for a series of non-nucleoside boron-containing HCV RNA-dependent RNA polymerase (NS5B) inhibitors are described. A summary of the discovery of 3 (GSK5852), a molecule which entered clinical trials in subjects infected with HCV in 2011, is included.
PDB ID: 4KHMDownload
MMDB ID: 110181
PDB Deposition Date: 2013/4/30
Updated in MMDB: 2013/05
Experimental Method:
x-ray diffraction
Resolution: 1.7  Å
Source Organism:
Similar Structures:
Biological Unit for 4KHM: monomeric; determined by author and by software (PISA)
Molecular Components in 4KHM
Label Count Molecule
Protein (1 molecule)
HCV Polymerase
Molecule annotation
Chemicals (3 molecules)
* Click molecule labels to explore molecular sequence information.

Citing MMDB