PDBsum entry 2obj

Transferase

PDB id: 2obj

Contents

Protein chain

273 a.a.

Ligands

VRV

Waters ×68

References listed in PDB file

Key reference

• Title: Identification and structure-Activity relationships of substituted pyridones as inhibitors of pim-1 kinase.
• Authors: I.W.Cheney, S.Yan, T.Appleby, H.Walker, T.Vo, N.Yao, R.Hamatake, Z.Hong, J.Z.Wu.
• Ref.: Bioorg Med Chem Lett, 2007, 17, 1679-1683.
• PubMed id: 17251021

Abstract

A novel series of highly potent substituted pyridone Pim-1 kinase inhibitors is described. Structural requirements for in vitro activity are outlined as well as a complex crystal structure with the most potent Pim-1 inhibitor reported (IC(50)=50 nM). A hydrogen bond matrix involving the Pim-1 inhibitor, two water molecules, and the catalytic core, together with a potential weak hydrogen bond between an aromatic hydrogen on the R(1) phenyl ring and a main-chain carbonyl of Pim-1, accounts for the overall potency of this inhibitor.