Figure 1.
Putative binding modes of sulfonated (N)-methanocarba derivatives obtained after docking simulations: (A) compound 6 at the hA3AR; (B) compound 7 at the hA3AR; (C) compound 6 at the mA3AR; (D) compound 7 at the mA3AR. Side chains of some amino acids important for ligand recognition are highlighted. H-bonding and ionic interactions are pictured as dotted lines. Hydrogen atoms are not displayed. Part of TM7 is omitted.