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(A) The predicted binding mode of 17 with TRKCG623R (generated from PDB code 6KZD). (B) The predicated binding mode of 20 with TRKAG595R (generated from PDB code 7XAF). Steric clashes are highlighted in spheres. Compounds and key residues are showed in sticks, the hydrogen bonds are presented as yellow dashed lines, and π‒π interactions are presented as pink dashed lines.
