FragLites (Live)

FragLites are small halogenated fragments that can be used to efficiently map druggable interactions in novel proteins.

The research was carried out at the CRUK Newcastle Drug Discovery Unit, Newcastle University (Mike Waring and Martin Noble) and the main investigators were Gemma Davidson - synthetic chemistry, Selma Dormen - synthetic chemistry, James Sanderson - synthetic chemistry and Matthew Martin - structural biology insights.

Compounds: 

• 31 compounds
• 500 mM in d6-DMSO
• 100 mM in EG

SMILES: click to download the FragLites plate map.

Supplier: the compounds are also available from XimBio.

PUBLICATION to cite:

Wood, D. J., et al. FragLites - Minimal, Halogenated Fragments Displaying Pharmacophore Doublets.  An Efficient Approach to Druggability Assessment and Hit Generation. J. Med. Chem., 62 (7), 3741-3752 (2019). https://doi.org/10.1021/acs.jmedchem.9b00304