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Using tert-Butyl Groups in a Ligand To Identify Its Binding Site on a Protein

Chen, Wan-Na; Otting, Gottfried


Few methods allow determining the binding site of tightly binding ligands. We show that ligands containing a tert-butyl (e.g., Boc) group produce easily observable nuclear Overhauser effects (NOE) with the target protein even when the tert-butyl group is not highly solvent exposed. NOEs with methyl groups of the target protein are readily assigned by selectively isotope labeling, presenting a practical and quick way to pinpoint the location of the ligand without any prior specific nuclear...[Show more]

CollectionsANU Research Publications
Date published: 2018-02-08
Type: Journal article
Source: ACS medicinal chemistry letters
DOI: 10.1021/acsmedchemlett.7b00464
Access Rights: Open Access


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