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Binding poses of the studied compounds in the MOR binding site. (A) A general view. Superposition of compounds 1–4. (B) Focus on the opioid fragment. Superposition of compound 1 (green) and DAMGO (brown; position taken from 6DDF structure [31]). The receptor (yellow) is shown in a simplified manner as helices (without TM1 and TM7), surface, and selected side chains shown as sticks. Ligands are shown as sticks.
