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Crystal structure of CYP2C9 with TCA007. A) Key interactions exhibited by TCA007 (violet carbons) in the CYP2C9 active site (PDB:5W0C). Amino acid side‐chains that contact TCA007 are rendered as sticks. The red spheres are water molecules, and the dashed lines depict H‐bonds. B, C) Modeling TCA711 (cyan) in the CYP2C9 structure (overlap with TCA007 in violet) (B) and DprE1 structure (overlap with TCA1 in megenta) (C). D) SAR optimization strategy for TCA1.
