Table 4.
The binding affinity (Ki, M) for TMD3 binding using the radiolabeled ligand, lactisole and the scoring energy (UCav, BE, SolvE) from the docking study
| Ligand | Ki (mM) | UCav | BE | SolvE |
|---|---|---|---|---|
| RebB | N.A. | –98.96 | –134.05 | –22.17 |
| NHDC | 0.33 | –89.28 | –124.72 | –86.05 |
| RebA | N.A. | –84.67 | –141.65 | –58.73 |
| RebC | 6.98 | –76.44 | –126.12 | –60.65 |
| Rubu | N.A. | –60.22 | –104.68 | –52.59 |
| S819 | N.C. | –50.89 | –59.95 | –40.16 |
| Amiloride | – | –34.26 | –58.34 | –39.84 |
| RebM | 11.75 | –33.13 | –121.89 | –35.84 |
| AceK | N.C. | –29.68 | –38.23 | –31.38 |
N.A. not available, N.C. not competition.
Lactisole was used as a radiolabeled ligand. The ligands were ordered by UCav E.