The database contains 190k small molecules divided into 23 sub libraries each focused at a specific target.

According to the recent studies, molecules acting on a particular target or class of targets usually have characteristic moieties (PF) containing key binding points responsible for activity, e.g. hinge-binding fragments. We used this principle for the statistical analysis of the reported active molecules and corresponding targets for the annotation of pre-filtered ChemDiv in house collection.

The library includes the following targets: Enzymes: Aminoacyltransferase, Hydrolases, Isomerases, Kinases, Ligases, Lyases, Oixireductases, Phosphatases, Proteases, Transferases, Phosphodiesterases; Membrane Receptors: βAmyloid A4 protein, Family A GPCR, Family B GPCR, Family C GPCR, Frizzled family GPCR, Taste family GPCR, σOpioid receptor, Thrombopoietin receptor; Ion channels: Voltage-gated, Ligand-gated; Epigenetic regulator.