Drug design of protein kinase inhibitors is now greatly enabled by thousands of publicly available X-ray structures, extensive ligand binding data, and optimized scaffolds coming off patent. The extensive data begin to enable design against a spectrum of targets (polypharmacology); however, the data also reveal heterogeneities of structure, subtleties of chemical interactions, and apparent inconsistencies ...

Enzymes are protein molecules that accelerate, or “catalyze”, specific chemical reactions. The reacting molecules, or substrates, bind to the enzyme which then enables their effective conversion into different product molecules. Virtually all metabolic processes in the cell need enzymes to occur at speeds fast enough to maintain life. The kinases are a large group of phosphotransferases, i.e. enzymes ...