PDBsum entry 3cgo

Transferase

PDB id: 3cgo

Contents

Protein chain

332 a.a.

Ligands

JNO

Waters ×54

References listed in PDB file

Key reference

• Title: Irak-4 inhibitors. Part ii: a structure-Based assessment of imidazo[1,2-A]pyridine binding.
• Authors: G.M.Buckley, T.A.Ceska, J.L.Fraser, L.Gowers, C.R.Groom, A.P.Higueruelo, K.Jenkins, S.R.Mack, T.Morgan, D.M.Parry, W.R.Pitt, O.Rausch, M.D.Richard, V.Sabin.
• Ref.: Bioorg Med Chem Lett, 2008, 18, 3291-3295. [DOI no: 10.1016/j.bmcl.2008.04.039]
• PubMed id: 18482836

Abstract

A potent IRAK-4 inhibitor was identified through routine project cross screening. The binding mode was inferred using a combination of in silico docking into an IRAK-4 homology model, surrogate crystal structure analysis and chemical analogue SAR.