Table 1. Notum Inhibition for Fragment Hits 1–59.

^aFragment number as annotated in the DSPL.

^bCoordinates for these 59 X-ray structures have been published in the PDB.

^cIC₅₀ values are mean ± s.d. of N = 2–4 experiments quoted to 2 s.f. unless stated otherwise. Differences of <2-fold should not be considered as significant. Inhibitors with an IC₅₀ > 1000 μM showed 20–45% inhibition @ 1 mM.

^dMW and clogP calculated with ChemDraw Professional 16.0.1.4.

^eLigand efficiency, LE = 1.4(−pIC₅₀)/HAC; lipophilic ligand efficiency, LLE = pIC₅₀ – clogP.

^fCompound showed a variable response upon retesting, IC₅₀ > 100 μM.

^gCompound illicited a variable, supramaximal response in fluoresence. Fragment was deselected.

^hND, not determined. Fragment was deselected.