Abstract:
:Small molecule protein kinase inhibitors are widely employed as biological reagents and as leads in the design of drugs for a variety of diseases. One of the hardest challenges in kinase inhibitor design is achieving target selectivity. By utilizing X-ray structural information for four promiscuous inhibitors, we propose a five-point pharmacophore for kinase frequent hitters, demonstrate its ability to discriminate between frequent hitters and selective ligands, and suggest a strategy for selective inhibitor design.
journal_name
J Med Chemjournal_title
Journal of medicinal chemistryauthors
Aronov AM,Murcko MAdoi
10.1021/jm049793gkeywords:
subject
Has Abstractpub_date
2004-11-04 00:00:00pages
5616-9issue
23eissn
0022-2623issn
1520-4804journal_volume
47pub_type
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