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. 2017 Oct 20;60(22):9407–9412. doi: 10.1021/acs.jmedchem.7b01363

Figure 3.

Figure 3

Overlay of molecular docking solutions for 3 (gray) and 3a (blue) at the active structure of the MOR, illustrating the steric clash inferred to represent the interaction of the 6-keto group of 3 with V300, orientated in close proximity, and the absence of this interaction for 3a. Residue V300 is presented, along with the binding pocket surface shown in wireframe representation.