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. Author manuscript; available in PMC: 2018 Nov 22.
Published in final edited form as: J Med Chem. 2017 Nov 13;60(22):9239–9250. doi: 10.1021/acs.jmedchem.7b01113

Figure 3.

Figure 3

(A) Superposition of compound 17 (green) and compound 3 (purple). Residues Asn6.52, Asp3.32, and Ser107 are represented as sticks. Both compounds hydrogen bond (black broken lines) with Asn6.52. (B) Superposition between the iperoxo (silver) pose in the M2R active state structure (PDB 4MQS15) and the docked pose of compound 3 (purple). Both compounds appear to hydrogen bond with Asn6.52, ion pair with Asp3.32, and are enclosed by an aromatic cage composed of Tyr104, Tyr403, and Tyr426.