Supplementary material from "Isoform-selective HDAC1/6/8 inhibitors with an imidazo-ketopiperazine cap containing stereochemical diversity"

Bertrand Lecointre, Remy Narozny, Maria Teresa Borrello, Johanna Senger, Alokta Chakrabarti, Manfred Jung, Martin Marek, Christophe Romier, Jelena Melesina, Wolfgang Sippl, Laurent Bischoff & A. Ganesan
A series of hydroxamic acids linked by different lengths to a chiral imidazo-ketopiperazine scaffold were synthesized. The compounds with linker lengths of 6 and 7 carbon atoms were the most potent in histone deacetylase (HDAC) inhibition, and were specific submicromolar inhibitors of the HDAC1, HDAC6 and HDAC8 isoforms. A docking model for the binding mode predicts binding of the hydroxamic acid to the active site zinc cation and additional interactions between the imidazo-ketopiperazine and the...
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