Fig. 5.

CoMFA and CoMSIA models of NAM binding. A, CoMFA coefficient contours map aligned with KAB-18. The contours of the steric map are shown in yellow and green, and the contours of the electrostatic map are shown in red and blue. Greater potency (lower IC₅₀ values) is correlated with less bulk near yellow, more bulk near green, more negative charge near red, and more positive charge near blue. B, CoMSIA contours aligned with KAB-18. The contours of the hydrophobic map are shown in white, yellow, and green, and the contours of the HBA map are shown in red and blue. Greater potency (lower IC₅₀ values) is correlated with less bulk near yellow, more bulk near green and white, more HBA near blue, and less HBA near red.