Skip to main content
. 2023 Apr 19;14(6):1114–1130. doi: 10.1039/d3md00010a

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