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Docking mode of BAY‐958 in complex with CDK9. The compound was docked into a published X‐ray complex of CDK9/CycT1 (PDB ID: 3MY1) using the Glide docking program. The sulfonamide moiety forms two hydrogen bonds, one to Glu107 (main chain) and the other to Asp109 (side chain). For the substituted phenyl ring attached to the triazine, a π‐stacking interaction with Phe103 and a weak hydrogen bond to Lys48 may be postulated.
