title: IRAK-4 inhibitors. Part II: a structure-based assessment of imidazo[1,2-a]pyridine binding.
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.
authors.affiliation: UCB, Granta Park, Great Abington, Cambridge CB21 6GS, UK.
authors.forename: George M
authors.initials: GM
authors.lastname: Buckley
authors.forename: Thomas A
authors.initials: TA
authors.lastname: Ceska
authors.forename: Joanne L
authors.initials: JL
authors.lastname: Fraser
authors.forename: Lewis
authors.initials: L
authors.lastname: Gowers
authors.forename: Colin R
authors.initials: CR
authors.lastname: Groom
authors.forename: Alicia Perez
authors.initials: AP
authors.lastname: Higueruelo
authors.forename: Kerry
authors.initials: K
authors.lastname: Jenkins
authors.forename: Stephen R
authors.initials: SR
authors.lastname: Mack
authors.forename: Trevor
authors.initials: T
authors.lastname: Morgan
authors.forename: David M
authors.initials: DM
authors.lastname: Parry
authors.forename: William R
authors.initials: WR
authors.lastname: Pitt
authors.forename: Oliver
authors.initials: O
authors.lastname: Rausch
authors.forename: Marianna D
authors.initials: MD
authors.lastname: Richard
authors.forename: Verity
authors.initials: V
authors.lastname: Sabin
mesh_terms: D001665:Binding Sites; D018360:Crystallography, X-Ray; D015195:Drug Design; D004791:Enzyme Inhibitors / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D007093:Imidazoles / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D053592:Interleukin-1 Receptor-Associated Kinases / Q000037:antagonists & inhibitors*; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D011725:Pyridines / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D013329:Structure-Activity Relationship
chemical_list: D004791:Enzyme Inhibitors; D007093:Imidazoles; D011725:Pyridines; D053592:Interleukin-1 Receptor-Associated Kinases