Figure 2
Starting fragments and follow-up compounds. The 2D chemical formulae of the five starting fragments of this work and the acquired follow-up candidates are given in (a)–(e). Kd is the dissociation constant of the compound from EP in µM and LE is the respective ligand efficiency in kcal mol−1 per atom. All crystallographic binders were evaluated by ITC, except for FU58-2, where sufficient material for this purpose was not available. The Kd and LE values for the starting fragments were obtained in previous work (Schiebel, Radeva et al., 2016). |