Table 2. ITC derived thermodynamic parameters for the binding of mercaptoacetate thioesters 8 and 9 with L1 at 25 °C, pH 7.0.
Compd | K d (μM) | N (site) | ΔH (kcal mol–1) | TΔS (kcal mol–1) | ΔG (kcal mol–1) |
8 | 5.5 | 0.49 | –16.78 | –9.60 | –7.18 |
9 | 19.7 | 0.71 | –28.24 | –21.81 | –6.43 |