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. Author manuscript; available in PMC: 2023 Apr 15.

Published in final edited form as: Eur J Med Chem. 2022 Mar 11;234:114272. doi: 10.1016/j.ejmech.2022.114272

Figure 3: — Docking poses calculated for selected HDAC10 inhibitors in the catalytic pocket of drHDAC10 (PDB ID: 5TD7; A and B) and the humanized form of drHDAC10 (PDB ID 6VNQ); C and D)). A) Binding mode of 13b (slate blue sticks) in drHDAC10 (PDB ID: 5TD7); B) Binding mode of 10c (pink sticks) in drHDAC10 (PDB ID: 5TD7); C) Binding of 13b (slate blue sticks) in the humanized form of drHDAC10 (PDB ID 6VNQ); D) Binding of 10c (pink sticks) in the humanized form of drHDAC10 (PDB ID 6VNQ). The Zn ion is shown as cyan sphere and water molecules as red spheres. Yellow dashed lines depict hydrogen bond interactions, cyan dashed lines metal chelation, green dashed lines cation-π interactions and blue-dashed lines π-π interactions.

Figure 3: — Docking poses calculated for selected HDAC10 inhibitors in the catalytic pocket of drHDAC10 (PDB ID: 5TD7; A and B) and the humanized form of drHDAC10 (PDB ID 6VNQ); C and D)). A) Binding mode of 13b (slate blue sticks) in drHDAC10 (PDB ID: 5TD7); B) Binding mode of 10c (pink sticks) in drHDAC10 (PDB ID: 5TD7); C) Binding of 13b (slate blue sticks) in the humanized form of drHDAC10 (PDB ID 6VNQ); D) Binding of 10c (pink sticks) in the humanized form of drHDAC10 (PDB ID 6VNQ). The Zn ion is shown as cyan sphere and water molecules as red spheres. Yellow dashed lines depict hydrogen bond interactions, cyan dashed lines metal chelation, green dashed lines cation-π interactions and blue-dashed lines π-π interactions.