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. 2024 Nov 7;14(48):35239–35254. doi: 10.1039/d4ra06704e

The binding energy of the most active compounds in comparison to the co-crystallized ligand for each prospective target.

No. Compound EGFR HER-2 TOP-II Aromatase
1 13c −8.0 −10.4 −10.7 −9.9
2 11e −7.9 −8.9 −9.5 −9.1
3 7c −7.7 −10.3 −10.2 −10.6
4 Co-crystallized ligand in EGFR −8.1
5 Co-crystallized ligand in HER-2 −11.6
6 Co-crystallized ligand in Top-II −10.9
7 Co-crystallized ligand in aromatase −10.7