TABLE 2

Computationally estimated free energies of binding (ΔG) with standard errors for ZINC13407541, 13a, and 8n to Gln156 in the N-terminal domain of FGF23 using AutoDock VinaMPI and KDEEP

The corresponding binding poses of ligands are shown in Fig. 2.

CompoundΔG(VinaMPI) [kcal/mol]ΔG(KDEEP) [kcal/mol]
ZINC13407541−7.0 ± 2.9−6.4 ± 0.3
13a−7.3 ± 2.9−6.9 ± 0.5
8n−5.8 ± 2.9−4.9 ± 0.6