PDBsum entry 2brc

Chaperone

PDB id: 2brc

Contents

Protein chain

214 a.a.

Ligands

CT5

Waters ×258

References listed in PDB file

Key reference

• Title: The identification, Synthesis, Protein crystal structure and in vitro biochemical evaluation of a new 3,4-Diarylpyrazole class of hsp90 inhibitors.
• Authors: K.M.Cheung, T.P.Matthews, K.James, M.G.Rowlands, K.J.Boxall, S.Y.Sharp, A.Maloney, S.M.Roe, C.Prodromou, L.H.Pearl, G.W.Aherne, E.Mcdonald, P.Workman.
• Ref.: Bioorg Med Chem Lett, 2005, 15, 3338-3343. [DOI no: 10.1016/j.bmcl.2005.05.046]
• PubMed id: 15955698

Abstract

High-throughput screening identified the 3,4-diarylpyrazole CCT018159 as a novel and potent (7.1 microM) inhibitor of Hsp90 ATPase activity. Here, we describe the synthesis of CCT018159 and a number of close analogues together with data on their biochemical properties. Some initial structure-activity relationships are discussed, as well as the crystal structure of CCT018159 bound to Hsp90.