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Computational modeling. Panel A: 5α-Androstane-3,17-dione (5) in the SP1 binding site of AKR1C3 (PDB: 1XF0) containing proximal NADP+35. Panel B: Pictet- Spengler adduct (11eh) derived from 5α-androstane-3,17-dione (5) in the SP1 binding site of AKR1C3 (PDB: 1XF0) containing proximal NADP+35.
