Glide XP docking score expressed in kcal mol⁻¹ for compounds 1 and 2 and co-crystallized ligand in the respective target.

Compound code	Glide XP docking score
Human thymidine phosphorylase
CMU	−11.578
1	−4.917
2	−6.748
E.coli K12 strain thymidine phosphorylase
0NP	−10.487
1	−6.987
2	−5.926
Human thymidylate synthase
UFP	−9.271
1	−4.519
2	−4.024
Staphylococcus aureus strain COL pyrimidine-nucleoside phosphorylase
THM	−7.599
1	−3.812
2	−4.278