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Stereoview of the superimposed global minimum of analogue 6 (purple), obtained by MCMM/LMCS (Monte Carlo Multiple Minima-Low Frequency Mode)-OPLS 2005 simulation with the NMR-derived structure of nonselective super agonist MT-II (blue; rmsd = 1.86 Å, nonhydrogen backbone atoms of the Xaa-D-Phe-Arg-Trp pharmacophore only). Hydrogens are omitted for clarity.
