2JC1

CRYSTAL STRUCTURE OF HEPATITIS C VIRUS POLYMERASE IN COMPLEX WITH INHIBITOR SB698223

Summary for 2JC1

• Entry DOI: 10.2210/pdb2jc1/pdb
• Related: 2I1R 2JC0
• Descriptor: RNA-DEPENDENT RNA-POLYMERASE, (2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)-2-ISOBUTYL-5-(1,3-THIAZOL-2-YL)PYRROLIDINE-2,4-DICARBOXYLIC ACID (3 entities in total)
• Functional Keywords: hepatitis, polymerase, hydrolase
• Biological source: HEPATITIS C VIRUS
• Total number of polymer chains: 2
• Total formula weight: 127582.45

Authors

Wonacott, A.,Skarzynski, T.,Singh, O.M. (deposition date: 2006-12-18, release date: 2007-02-13, Last modification date: 2024-05-08)

Primary citation

Slater, M.J.,Amphlett, E.M.,Andrews, D.M.,Bravi, G.,Burton, G.,Cheasty, A.G.,Corfield, J.A.,Ellis, M.R.,Fenwick, R.H.,Fernandes, S.,Guidetti, R.,Haigh, D.,Hartley, C.D.,Howes, P.D.,Jackson, D.L.,Jarvest, R.L.,Lovegrove, V.L.,Medhurst, K.J.,Parry, N.R.,Price, H.,Shah, P.,Singh, O.M.,Stocker, R.,Thommes, P.,Wilkinson, C.,Wonacott, A.
Optimization of Novel Acyl Pyrrolidine Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase Leading to a Development Candidate.
J.Med.Chem., 50:897-, 2007

PubMed Abstract: Optimization of a pyrrolidine-based template using structure-based design and physicochemical considerations has provided a development candidate 20b (3082) with submicromolar potency in the HCV replicon and good pharmacokinetic properties.

PubMed: 17269759
DOI: 10.1021/JM061207R

Experimental method

X-RAY DIFFRACTION (2 Å)