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Rational drug design procedure.
Notes: (A) Analysis of 75 fragments with two aromatic rings covered 25 various scaffolds derived from the 42 small-molecule ligands above. (B) Fragment-based drug design strategy based on analysis of two ring fragments. (C) One example produced between fragment 1–11 and fragment 1–6; it could give rise to two promising templates (A series and B series) located in the A, K, and BP-I–IV regions.
Abbreviation: BP, back pocket.
