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. Author manuscript; available in PMC: 2011 Nov 11.
Published in final edited form as: J Med Chem. 2010 Nov 11;53(21):7804–7824. doi: 10.1021/jm100947x

Figure 1.

Figure 1

Schematic drawing of the active site of nNOS. The binding mode of the cis pyrrolidinomethyl aminopyridine inhibitors and the amino acids and cofactors important for inhibitor binding are indicated. Numbering is for the sequence of nNOS if not indicated. The H-bonds observed in the crystal structure are indicated by dotted lines based on the crystal structures of nNOS in complexes with 1 and 2 (PDB id: 3B3N and 3B3O).27 Under physiological conditions, the nitrogen atoms of the pyridine ring, the pyrrolidine ring, and the terminal amino group of the ethylenediamine side chain in NOS are protonated, but the nitrogen atom attached to the pyrrolidine ring is in the neutral form.