Fig 6. Superposition of ebelin lactone (blue) in complex with the M1 mAChR model and LY2119620 (green) in complex with the M2 mAChR.
Superposition of the crystal structure of the allosteric modulator LY2119620 in complex with M2 mAChR (PDB code: 4MQS) with the docked ebelin lactone in M1 mAChR shows the overlapping binding positions of these ligands, suggesting ebelin lactone could be a M1 allosteric modulator. Iperoxo is shown in spheres to depict the orthosteric site of the receptor.