Structure-based design of novel Chk1 inhibitors: insights into hydrogen bonding and protein-ligand affinity.

@article{Foloppe2005StructurebasedDO,
  title={Structure-based design of novel Chk1 inhibitors: insights into hydrogen bonding and protein-ligand affinity.},
  author={Nicolas Foloppe and L Mark Fisher and Rob Howes and Peter Kierstan and Andrew Potter and Alan G.S. Robertson and Allan E Surgenor},
  journal={Journal of medicinal chemistry},
  year={2005},
  volume={48 13},
  pages={4332-45}
}
We report the discovery, synthesis, and crystallographic binding mode of novel furanopyrimidine and pyrrolopyrimidine inhibitors of the Chk1 kinase, an oncology target. These inhibitors are synthetically tractable and inhibit Chk1 by competing for its ATP site. A chronological account allows an objective comparison of modeled compound docking modes to the… CONTINUE READING