molecules of the month


potent, selective CECR2 bromodomain inh.

cell permeable tool compound

from HTS + SBDD on ATAD2, CECR2 model

J. Med. Chem., May 28, 2020

GlaxoSmithKline, Stevenage, UK

Structure of GSK232
1 min read

GSK232 is a highly selective cell-penetrant inhibitor of the non-BET CECR2 bromodomain with >500-fold selectivity over BET-family bromodomains identified during a campaign to find selective inhibitors of the bromodomain ATAD2. Since bromodomain-containing complexes are highly modular and have scaffolding functions, their roles in biology are difficult to study without tool molecules. Hence new selective tool molecules for bromodomain family members are invaluable for basic biology research. Co-crystal structures of related compounds on ATAD2 suggest the involvement of a halogen bond with a protein carbonyl, as well as a hydrogen bond involving a sulfonamide oxygen despite the sulfonamide’s relatively weak H-bond accepting ability.

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