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Dissociation constants for the interaction between ZZ with unlabeled peptides H3 (112) and H3K4ac (112) were measured using a displacement assay in which increasing amounts of unlabeled peptides were added into a preformed ZZ:H3-FAM complex prepared by supplementing 5 M ZZ into each sample

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1d was driven by bioisosteric replacement of the fragments bound to subpockets A-C, scaffold-hopping, de novo design, and medicinal chemistry and was facilitated by SZMAP/GamePlan 37 , vBrood 38 , and MOE software 39