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Binding poses predicted for 1 (A, green) and 2 (B, blue) with the 5-HT2A receptor compared with the experimental complex of the 5-HT2A receptor with the agonist LSD (C, orange) and superimposition of 2 with LSD (orange) and inverse agonist methiothepin (purple) (D). Three crucial side chains (Asp155, Ser242, Asn343) for interactions with the alkaloids are labeled. Val156 would have covered the bag from the shown perspective and was blanked for better visibility.
