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. 2020 Jun 19;12(6):1631. doi: 10.3390/cancers12061631

Figure 1.

Figure 1

Structure-based design of Gαi2 Inhibitors. (A) Representative examples of Gαi1 Inhibitors. (Bi) Docked output of compound 9827 (12) at the active site of Gαi1–GDP, showing the placement of the thiophene-hydroxyl and benzothiophene sulfur groups. (Bii) Overlay of docked orientations of 12 in the presence (cyan) or absence (yellow) of Mg2+ ion. (C) Overlay of docked orientations of 12 (cyan) and 9a (teal) (Ci), and 12 (cyan) and 9b (grey) (Cii). (Di) Overlay of the docked outputs of 12 (cyan) and 13 (orange). (Dii) Overlay of the docked outputs of 12 (cyan), 13 (orange) and 14 (brown).