Table 1. Predicted binding affinities and experimental .
Predicted * | |||||
Anesthetic | Binding Site | () | () | () | () |
Isoflurane | Pore(closed) | 2.9 | 83 | 2.8–86 | 60 |
Isoflurane | Pore(open) | 620 | 530 | 370–890 | 60 |
Isoflurane | Allosteric | 2,800 | |||
Propofol | Pore(closed) | 0.46 | 1.8 | 0.38–2.1 | 24 |
Propofol | Pore(open) | 1.5 | 2.9 | 1.1–4.0 | 24 |
Propofol | Allosteric | 9.4 | |||
Ethanol | Pore(closed) | 7.1 |
Binding affinities based on free energies presented in Table 2.
*: Range of predicted corresponds to model parameter varying from 0 (higher ) to 1 (lower ).