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Design hypothesis of benzyl alcohol 10 as an isostere of a putative pyridine–water interaction made by 6. Docked pose of compounds 6 and 10 bound to PDB:7Q8T, aligned with the His 247-BeF3-Mg residues from PDB: 3DKL, demonstrating the potential for interactions with the p-His247 region in this binding mode. All other NAMPT residues from PDB:7Q8T and PDB: 3DKL are removed for clarity.
