Skip to main content
. 2022 Jun 2;9:836572. doi: 10.3389/fmolb.2022.836572

TABLE 6.

Pharmacophoric features and spatial coordinates for pharmacophore Models 1 and 2, obtained by Pharmagist and Pharmit, as well as number of compounds retrieved from corresponding virtual screening campaigns using Molport database.

Model 1 [a] /Model 2 [b]
Pharmacophoric features Spatial coordinates Number of compounds obtained
x y z R
Acc 1 12.380 −15.578 2.204 0.5 8 [a] /2 [b]
Acc 2 15.069 −16.653 −1.457 0.5
Acc 3 15.205 −15.655 2.057 0.5
Acc 4 16.838 −21.912 1.729 0.5
Aro 1 19.831 −16.492 −1.023 1.1
Aro 2 12.488 −16.602 −0.420 1.1
Aro 3 16.316 −19.305 0.830 1.1
Total 10
[a]

No filters applied.

[b]

Filters applied.