Figure 3.

The lowest energy configuration of docking result of caffeinyl analog (Compound 10) with binding pocket of human AA_2AR. The residues of binding pocket are shown as stick in pink color while compound 10 is presented as ball and stick style in blue color. Dashed lines in green indicate H-bonds while π–π stacking interaction are shown as orange lines. Sulfur is presented in dark yellow and oxygens in red