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. 2020 Feb 4;14:497–508. doi: 10.2147/DDDT.S237957

Figure 5.

Figure 5

Predicted 3D ligand binding pose of compound 7a (purple) in the HDAC1 (A) and HDAC2 (B) active sites overlapped with the binding pose of a known HDAC inhibitor from crystal structure 6G3O (green). The interacting residues are shown in line view, Zn ion is shown as a sky blue sphere. Dotted lines are used to visualize the protein–ligand interactions. Image prepared in Discovery Studio Visualizer.