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. Author manuscript; available in PMC: 2022 Mar 11.
Published in final edited form as: J Med Chem. 2021 Feb 12;64(5):2691–2704. doi: 10.1021/acs.jmedchem.0c01922

Figure 3:

Figure 3:

Docking conformation of TO-317 with drHDAC6 CD2 (PDB 5WGI) reveals occupancy of both L1 and L2 crevices which facilitates a plethora of interactions. Deck A shows the pocket view of these interactions, while deck B shows how TO-317 adopts a windmill conformation that allows both aromatic ring cap groups to engage with the L1 and L2 crevices of the HDAC6 outer surface.