Table 1. Docking results for the predicted binding site of the allosteric inhibitors.
| Inhibitor | Autodock 4 score (kcal/mol) | Autodock 4 Ki (μM) | Experimental IC50 (μM)6 |
|---|---|---|---|
| NMS-873 | −9.83 | 0.06 | 0.03 |
| NMS-249 | −8.56 | 0.54 | 0.29 |
| NMS-862 | −6.47 | 18 | 2.66 |
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