Fig. 2. Crystal structure of 13 (blue) bound to LmNMT (grey). (A) The chloro-substituent is buried within a hydrophobic pocket, and appears to have good shape complementarity with the enzyme active site. (B) In addition to the shape-complementarity of the scaffold, the compound appears to form a similar binding mode to that previously observed. (C) The trimethylpyrazole motif forms both a hydrogen bonding interaction with Ser330 and a hydrophobic stacking interaction with Phe90.