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Covalent docking into the BTB domain of KEAP1 (PDB: 4CXT). Cys151 is represented with yellow surface, Gly148 with blue surface and a dashed yellow line represents a hydrogen bond. (A) Andrographolide (1, cyan). (B) 14‐Deoxy‐14,15‐didehydroandrographolide (2, magenta). (C) The orientation of the furan ring of enantiomer 9 (yellow) deviates from 1 (cyan) but is close to 2 (magenta). (D) Overlay of docking poses of 1 (cyan), 16 a (blue) and 16 b (green).
