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Interactions of (RRu)-NP549 within the ATP-binding site of GSK-3β. A) Hydrogen bonding interactions. B) The most important hydrophobic interactions. C) Highlighting the close contact of the CO ligand of (RRu)-NP549 with Gly63 and the small hydrophobic pocket for the CO. D) Proximity of the carboxylate to Arg141 and Arg144, Lys85 to the fluorine substituent, and interaction of Gln185 with the cyclopentadienyl ring and the adjacent amide carbonyl group.
