Table 3.
Pharmacophore-point groups for the neprilysin ligands
| Group | Description | Fulla | Partialb | Importance |
|---|---|---|---|---|
| a | Acidic groups (including thiolates) binding Zn, accepting from E584, H711 | 1 | 1 | Major |
| b | Amide and imidazo groups donating to N542, accepting from R717 | 2 | 0 | Major |
| c | Phenyl and isobutyl groups making hydrophobic contacts in vicinity of V580, H583 and W693 | 1 | 0 | Major |
| d | Carboxylate oxygens accepting from N542 | 0 | 1 | Moderate |
aNumber of full pharmacophore points in group
bNumber of partial pharmacophore points in group