Delineation of Polypharmacology across the Human Structural Kinome Using a Functional Site Interaction Fingerprint Approach.

@article{Zhao2016DelineationOP,
  title={Delineation of Polypharmacology across the Human Structural Kinome Using a Functional Site Interaction Fingerprint Approach.},
  author={Zheng Zhao and Li Xie and Lei Xie and Philip E. Bourne},
  journal={Journal of medicinal chemistry},
  year={2016},
  volume={59 9},
  pages={4326-41}
}
Targeted polypharmacology of kinases has emerged as a promising strategy to design efficient and safe therapeutics. Here, we perform a systematic study of kinase-ligand binding modes for the human structural kinome at scale (208 kinases, 1777 unique ligands, and their complexes) by integrating chemical genomics and structural genomics data and by… CONTINUE READING