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Binding affinities and Inhibition constant (T = 298.15 K) of Synthesized Halogenated GlfT2 inhibitors.
| Compounds | Binding energy (kcal/mol) | Inhibition constant, µM |
|---|---|---|
| Natural substrate | −6.63 ± 0.02 | 14 |
| 27 | −8.32 ± 0.01 | 1 |
| 28 | −7.13 ± 0.01 | 6 |
| 29 | −3.96 ± 0.01 | 1242 |
| 30 | −7.79 ± 0.01 | 2 |
| 31 | −8.08 ± 0.01 | 1 |
