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Representative docking pose of MTI163 in the diazepam pocket of 6HUP. (a) The MTI163 pose, which is fully consistent with all experimental evidence, is displayed with the pocket-forming amino acids that were set flexible during docking. (b) Overlay of diazepam (yellow) and the MTI163 (red) pose in 6HUP ligands structures (top), ligands surfaces (bottom). The left subunit (pink) is β3, the right one (blue) is α1.
