You can focus the information presented on the ligand results, scaffold results, and scaffold details pages by applying filters. The number of results and available filter options change as filters are applied or removed.
If a filter has View All, clicking it will either display the full list of options or window in which you can select options listed by the number of results they apply to (Top Count), Alphanumerically, or as Search results.
Click the Apply button apply your selected filter options to the result set.
pValue
pValues display in the data table on the Pharmacology tab of the ligand results, scaffold detail, and ligand detail page.
R-Groups
Available on scaffold details page for the Ligands and Pharmacology tabs, use this filter to select R-Groups that need to be present in the results' structures.
Clicking an R-Group opens a window displaying the available options.
Select the desired groups and then click the Apply button.
Displayed results now have the selected R-Group.
The applied R-Group is fully shaded in the filter panel.
Druglikeness
The Druglikeness filter has up to six parameters, which may be adjusted via the sliders or text boxes for the minimum and maximum values:
- Hydrogen Bond Receptors
- Hydrogen Bond Donors
- Freely Rotatable Bonds
- Molecular Weight
- Molar Refractivity
- Number of Atoms (heavy)
Click the Apply button apply your selected parameter ranges to the result set.
Values are displayed on the ligand detail page.
ADME
The ADME filter has up to six parameters, which may be adjusted via the sliders or text boxes for the minimum and maximum values:
- Partition Coefficient (logP)
- Solubility (logS)
- Blood-Brain Barrier Permeability (logBB)
- Permeability Glycoprotein (Pgp)
- Polar Surface Area (PSA) (Å2)
- Plasma Protein Binding (PPB)
Click the Apply button apply your selected parameter ranges to the result set.
Values are displayed on the ADME tab of the ligand detail page.
Target
Targets display in the data table on the Pharmacology tab of the ligand results, scaffold detail, and ligand detail page.
Disease
Diseases display in the Assay Data window for a result.
Parameter
Parameters display in the data table on the Pharmacology tab of the ligand results, scaffold detail, and ligand detail page.
Function
Functions display in the data table on the Pharmacology tab of the ligand results, scaffold detail, and ligand detail page.
Organism
Organisms display in the data table on the Pharmacology tab of the ligand detail page.