IRAK-4 inhibitors. Part II: A structure-based assessment of imidazo[1,2-a]pyridine binding

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.

Graphical abstractThe binding mode of a series of IRAK-4 inhibitors derived screening hit 1 was inferred using a combination of in silico docking into a homology model, surrogate crystal structure analysis and analogue SAR.Figure optionsDownload full-size imageDownload as PowerPoint slide