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Docking positioning of potent oxazoline 20b (C atom; yellow), of the amidine-containing derivative 15 (C atom; magenta) and of the endogenous agonist β-PEA (C atom; green) as hTAAR1-targeting compounds (left). Ligands are shown as sticks. The most relevant residues are labelled. A schematic perspective of the most relevant H-bonds experienced by 15 and β-PEA is also shown (right).
