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. Author manuscript; available in PMC: 2020 Jan 1.
Published in final edited form as: Bioorg Med Chem Lett. 2018 Nov 9;29(1):36–39. doi: 10.1016/j.bmcl.2018.11.019

Figure 1.

Figure 1.

Covalent docking of known inhibitors of papain using Shrodinger CovDock at the active site cysteine (Cys25) of papain (1KHQ:1.6 Å). A) Known inhibitors of papain with reported kinact/Ki values and their rankings in CovDoc. B) Docking poses of compounds 1, 2, 4, and 6 at the papain active site.