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. Author manuscript; available in PMC: 2022 Aug 12.
Published in final edited form as: J Med Chem. 2021 Jul 19;64(15):10997–11013. doi: 10.1021/acs.jmedchem.1c00367

Figure 2. Compounds 7, 11 and 24 and their docking models bound to the ENL YEATS domain.

Figure 2.

(A) Chemical structures of compounds 7, 11 and 24 and their IC50 values in inhibiting the His-ENL-H3K9ac interaction in AlphaScreen assay. (B-D) The molecular docking models of compounds 7 (B), 11 (C), and 24 (D) bound to the ENL YEATS domain. Modeling was based on the crystal structure of the ENL YEATS domain (PDB: 5j9s). Compounds are shown in stick representation and the ENL YEATS domain is shown as cartoon in gray. Compound-interacting residues of ENL are highlighted and shown in stick representation.