Ontology highlight
ABSTRACT:
SUBMITTER: Zhao Z
PROVIDER: S-EPMC4865454 | biostudies-literature | 2016 May
REPOSITORIES: biostudies-literature
Zhao Zheng Z Xie Li L Xie Lei L Bourne Philip E PE
Journal of medicinal chemistry 20160317 9
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 introducing a functional site interaction fingerprint (Fs-IFP) method. New insights into kinase-ligand binding modes were obtained. We establish relati ...[more]