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.
| Compound | ΔG(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 |