Figure 6
(A) Docking best pose of (R)-17b (green) into the crystal structure of the extracellular domain of α5β1 integrin (α5 orange, β1 blue). Only selected integrin residues involved in the interactions with the ligand are shown. The metal ion at MIDAS is displayed as a magenta CPK sphere. Non polar hydrogens are hidden for better visual representation. (B) Docking best pose of (R)-20b (purple) into the crystal structure of the extracellular domain of αvβ3 integrin (αv grey, β3 red). The metal ion at MIDAS is displayed as a cyan CPK sphere. The image has been generated using Maestro graphical interface [Maestro, version 10.5, Schrödinger, LLC, New York, NY, 2016].
