Structure-based Drug Design Enables Conversion of a DFG-in Binding CSF-1R Kinase Inhibitor to a DFG-out Binding Mode.

Marvin J. Meyers,Matthew Pelc,Satwik Kamtekar,Jacqueline Day,Gennadiy I. Poda,Molly K. Hall,Marshall L. Michener,Beverly A. Reitz,Karl J. Mathis,Betsy S. Pierce,Mihir D. Parikh,Deborah A. Mischke,Scott A. Long,John J. Parlow,David R. Anderson, Atli Thorarensen

Bioorganic & medicinal chemistry letters（2010）

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摘要

The work described herein demonstrates the utility of structure-based drug design (SBDD) in shifting the binding mode of an HTS hit from a DFG-in to a DFG-out binding mode resulting in a class of novel potent CSF-1R kinase inhibitors suitable for lead development.

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关键词

cFMS,CSF-1R,Kinase,DFG-in,DFG-out,Structure-based drug design

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