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. 2020 Apr 9;11(5):889–894. doi: 10.1021/acsmedchemlett.9b00661

Figure 1.

Figure 1

(a) 3D superposition of the best-docked pose for 9 (orange) and 11 (green) bound to the σ1 receptor orthosteric site. The different lengths of the aliphatic linker reverse the orientation of the ligand inside the receptor. (b) Top-scored docking poses for 9 (orange) and 13 (magenta) bound to the σ1 receptor orthosteric site. The different position of the nitrate group allows better interaction with His154 (green dotted line).