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. 2020 Dec 28;22(7):1232–1242. doi: 10.1002/cbic.202000692

Figure 3.

Figure 3

Docking results (VINA performed with YASARA) of the biaryl ketone 1l into the active site of SH‐ωTA. Possible interactions allowing the conversion of 1l are potential S‐π interactions between M119 and 1l (yellow) and π‐stacking interactions between H57 and 1l (light blue).