Three-dimensional coordinates of catalyst pharmacophore features for model 2
| Coordinates | Pharmacophore Features | ||||||
|---|---|---|---|---|---|---|---|
| HBA | HBA Vector | HBD1 | HBD1 Vector | HBD2 | HBD2 Vector | H | |
| X | −1.18 | −2.41 | 1.49 | −0.23 | 0.42 | 2.63 | −3.42 |
| Y | 0.48 | 1.40 | 1.03 | −0.79 | −1.98 | −3.65 | 1.88 |
| Z | −1.66 | −4.25 | 2.36 | 4.01 | −0.01 | −1.15 | −0.26 |
HBA = hydrogen bond acceptor; HBD = hydrogen bond donor; H = hydrophobe.