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. Author manuscript; available in PMC: 2013 Jan 12.
Published in final edited form as: J Med Chem. 2011 Dec 12;55(1):538–552. doi: 10.1021/jm201461q

Figure 4.

Figure 4

Panel A: Docking poses of 11 (with carbon atoms colored in green), 12 (with carbons in orange), and 13 (with carbons colored in cyan) in the binding site of the 1-A2AAR structure. The bulky N6 aromatic rings of the agonists are located in a hydrophobic pocket at the extracellular region of TM6, TM7, EL2, and EL3. Panel B: predicted binding orientation of 20 in the binding site of 1-A2AAR. The key H-bond interactions between the compounds and the residues of the binding pocket are highlighted as dotted lines.

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