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. Author manuscript; available in PMC: 2020 Mar 20.
Published in final edited form as: ACS Chem Neurosci. 2018 Dec 14;10(3):1679–1695. doi: 10.1021/acschemneuro.8b00600

Figure 1.

Figure 1

Hydrophobic caps are valuable for enhancing HDAC6 potency. (a) HDAC1/6 enzyme potencies and structures of compounds 1–5. (b) Empirical conformation of 1 (green) in HDAC6-CD2 (PDB: 6CSR). (c–e) Docked pose of 2 (yellow), 4 (magenta), and TubA (orange) in HDAC6-CD2; (f) Superimposed structures of 2, 4, and TubA in the catalytic site of HDAC6-CD2. Interatomic distances of both polar interactions and coordination are depicted in green dashed lines (distance in Å). Zn2+ ions are depicted as dark gray spheres. The mesh molecular surface is depicted in orange (wires) and pale green (surface).