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. Author manuscript; available in PMC: 2019 Mar 22.
Published in final edited form as: J Med Chem. 2018 Mar 9;61(6):2589–2603. doi: 10.1021/acs.jmedchem.8b00136

Figure 4.

Figure 4

Molecular docking probe of the catalytic and allosteric binding pockets of HDAC1 (PDB: 5ICN) and HDAC3 (PDB: 4A69). Data is represented as a box and whisker plot using the top 10 docking poses for each condition. The CS was defined as the catalytic pocket that incorporated the Zn metal, and the AS was defined as the allosteric pocket created by the interface between the HDAC heterodimer.