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. Author manuscript; available in PMC: 2021 Feb 15.
Published in final edited form as: Bioorg Med Chem. 2020 Jan 7;28(4):115301. doi: 10.1016/j.bmc.2019.115301

Fig. 4.

Fig. 4.

The docking box (A), binding poses of ouabain (B, yellow sticks, from the crystal structure), 1 (C, cyan sticks) and 3 (D, blue sticks) in Na+/K+-ATPase pocket and inhibition of Na+/K+-ATPase by 1 (E) and 3 (F).5