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Predicted lowest free energy of binding expressed in kcal/mol and inhibition constant (KI) expressed in nanomolar (nM) for pro-caspase 3 and caspase 3.
| Target | Estimated Lowest Free Energy of Binding (kcal/mol) | KI (nM) |
|---|---|---|
| Pro-caspase 3 | −9.31 | 150.72 |
| Caspase 3 | −7.74 | 2120 |
