Table 3

Docking of AQ to CYP2C8, 2C9, 2C18, and 2C19

CYP2C815 Å52.47–7.94
12 Å72.65–4.10
10 Å22.29–3.44
CYP2C915 Å1
12 Å0
10 Å1
CYP2C1815 Å0
12 Å0
10 Å2
CYP2C19 (many different solutions of binding modes)15 Å 12 Å 10 Å0 2 0

Hits were defined as a number of dockings (of 10) with the hydrogen atoms on AQ at a maximum distance of 4 Å from the oxygen atom on the heme.

• 3-a  The distance from the hydrogen on the carbon adjacent to site of N-desethylation to the oxygen ligated to the heme.