Table 5. ITC analysis of fragment binding to EP.

Fragments 50, 51 and 91 could not be investigated using displacement ITC. The errors in ΔG°, K _d and LE were estimated via error propagation using the standard deviation of three measurements of the displacement ligand. For details, see §2.7.

Fragment	ΔG° (kJ mol−1)	K d (mM)	LE† (kJ mol−1 atom−1)
29	−13.7 ± 0.1	4.0 ± 0.2	1.05 ± 0.01
30	−12.4 ± 0.2	6.8 ± 0.6	1.03 ± 0.02
39	−14.1 ± 0.1	3.3 ± 0.2	1.41 ± 0.01
42	−13.4 ± 0.2	4.5 ± 0.3	1.68 ± 0.02
53	>−11.4	>10.0	<0.95
97	14.1 ± 0.1	3.4 ± 0.2	1.18 ± 0.01

^†The ligand efficiency (LE) was calculated dividing −ΔG° by the number of non-H atoms in the fragment.