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Updated: Jul 8, 2025

NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode
Published on: June 4, 2021
Development of Allosteric NIK Ligands from Fragment-Based NMR Screening
Jared J Anderson1, Michael J Grillo2, Daniel A Harki1,2
1Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455, United States.
Abstract:
NF-κB inducing kinase (NIK) is vital for the induction of many immune responses, and as such, NIK dysregulation has been implicated in various inflammatory diseases and cancers. NIK has been pursued as a potential therapeutic target, and small-molecule inhibitors that bind the orthosteric site on NIK have been reported. However, despite the established chemical matter, NIK inhibitors have not yet reached the clinic. With the goal of developing allosteric NIK ligands using a fragment-based NMR screening approach, we report the identification and development of a series of allosteric, fragment-sized NIK ligands that bind with micromolar potency and good ligand efficiency.
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