Table 1.
Dissociation constant (KD) values of five fusion compounds (3–7), two fragments, and CDP for BpIspF as determined by SPR. Binding stoichiometry estimates were determined by molecular weight-normalized RUmax values for dose-response binding curves. Docking scores for the fusion series are also reported using BpIspF (PDB ID:3Q8H) as the starting model.
| Compound | KD (μM) | SPR-based stoichiometry [ligand: holoenzyme] | Docking Score |
|---|---|---|---|
| CDP | 75 | 1:1 | N.A. |
| 3 | 180 | 3:1 | 8.11 |
| 4 | 148 | 3:1 | 8.34 |
| 5 | 70 | 3:1 | 8.91 |
| 6 | 200 | 3:1 | 7.13 |
| 7 | 90 | 3:1 | 8.45 |
| FOL717 | 135 | 1:1 | N.A. |
| FOL955 | > 500 | 1:1 | N.A. |