IFD calculations for inhibitors 4c, 4f, 4g, and 4h in comparison with the co-crystal GSK299423 on enzyme 2XCS.
| Entry | Groups | G score (kcal mol−1) | IFD score (kcal mol−1) |
|---|---|---|---|
| 4c | 5-Cl | −8.571 | −1809.532 |
| 4f | 4-Et | −7.556 | −1809.956 |
| 4g | 4-OMe | −9.076 | −1808.679 |
| 4h | 4-OMe-3-NO2 | −10.943 | −1814.744 |
| GSK299423 | −7.282 | −1803.088 |