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. Author manuscript; available in PMC: 2018 Jun 5.
Published in final edited form as: J Comput Chem. 2017 Jan 28;38(15):1209–1228. doi: 10.1002/jcc.24728

Figure 10. Flexible receptor predicted binding modes for M1R PAMs and comparison to LY2119620.

Figure 10

(A) Crystallographic binding geometry of M2R PAM LY2119620. and comparison to the top-ranked binding mode of 13 (ML-137) bound to M1R shown from a top view of the receptor surface showing specific interactions. (B) Binding geometry of the 2nd ranked binding mode of 13, that is quite similar in energy to (A). Binding geometry of 14 (GSK-1804165) (C) and 15 (D), respectively.