Design, Selection, and Evaluation of a General Kinase‐Focused Library

Abstract

The protein kinase family is an attractive target for new therapies, and compound libraries focused toward kinases have become important starting points in screening campaigns. Herein we report an integrated procedure that combines a 2D ligand-based selection procedure with 3D structure-based virtual screening to provide a tool to select target-family-focused compound sets. We evaluated the resulting selection by testing a small set of compounds in a kinase inhibition assay. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.