Fig. 3

Interactions of 2-amino-9H-pyrido[2,3-b]indole (AαC) with CYP1A1. Placements of AαC for the N²- (A) and 3-oxidations (B), inhibition/N-oxidation (C), 5,6- (D), 2,3- (E and F), 7-oxidations (G), and 6-oxidation (H) on CYP1A1 Template are shown as 3D-structures of cylindrical shapes for pro-metabolized molecules and of stick shapes for trigger molecules. In the right-side of each placement, 90°-rotated structures are indicated in Width-gauge. 2D-structures of AαC are also shown with parts of position numbers. hCYP1A1; human CYP1A1, rCYP1A1; rodent CYP1A1. Functional and non-functional placements are indicated with dark- and grey-colored titles. Dark arrows indicate the possible cause of defects