Table 2. Compound Binding to CYP46A1a.
| compd | Kd for substrate-free CYP46A1 (M) | calculated konb (M–1 s–1) | experimental koff (s–1) |
|---|---|---|---|
| cholesterol | 9 × 10–9 c | 1.3 × 106 | 0.012 ± 0.002 |
| (S)-EFV | 5 × 10–6 d ± 0.4 × 10–6 | 2.2 × 106 | 11.2 ± 0.9 |
| rac-3 | 5 × 10–6 e ± 0.3 × 10–6 | 0.7 × 106 | 3.6 ± 0.2 |
Experimental data are presented as the mean ± SD of the measurements from the three independent experiments.
Values calculated
from Kd and koff assuming
.
This value comes from an apparent Kd of 80 nM 20 after the correction for HPCD binding. See Experimental Section for details.
This is the Kd value for titrations at 24 °C 20 because the stopped-flow experiments were conducted at 23 °C.