CH···O and CH···N Hydrogen Bonds in Ligand Design:  A Novel Quinazolin-4-ylthiazol-2-ylamine Protein Kinase Inhibitor

Abstract

Aryl CH hydrogen bonds play an important role in the binding of several analogues of a pyrazol-3-ylquinazolin-4-ylamine inhibitor of glycogen synthase kinase 3 (GSK3). Understanding the importance of these CH...O and CH...N hydrogen bonds allowed the design of a novel quinazolin-4-ylthiazol-2-ylamine inhibitor of GSK3 with a structurally confirmed CH...O hydrogen bond to the protein.