. 2019 Jul 8;62(15):7210–7232. doi: 10.1021/acs.jmedchem.9b00809

Table 1. Change in the Melting Temperatures (ΔT_m), Affinities (K_d), and Ligand Efficiencies (LE) of Fragment Hit 1 and Compounds 2–7.

compound	ΔT_m^a (°C)	R	K_d (μM)	LE^b
1	+0.4^c		89 ± 4	0.55
2	ND^d		ND
3	+3.1	H	33 ± 2	0.41
4	+0.4	4-NO₂	ND
5	+0.9	4-CO₂Me	ND
6	+2.8	3-CN	30 ± 1	0.36
7	+3.5	3-OMe	14 ± 1	0.39

100 μM ligand and 10 μM Mab TrmD.

kcal mol^–1 per heavy atom.

Determined to be +4.0 °C with 5 mM ligand and 10 μM Mab TrmD.¹²

Determined to be +0.4 °C with 5 mM ligand and 10 μM Mab TrmD.

Table 1. Change in the Melting Temperatures (ΔTm), Affinities (Kd), and Ligand Efficiencies (LE) of Fragment Hit 1 and Compounds 2–7.