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Representation of the selected pose produced by molecular docking with the program PLANTS for the compound 5d (colored in gold, panel A), 5j (depicted in cyan, panel B), and 4e (colored in orange, panel C) in the ATP-binding site of HSP90. All the conformations passed the steric, electrostatic, and pharmacophoric filtering procedures. In each panel, also the electrostatic surface around the ligand in the binding site is represented. The images were created and rendered with MOE.
