InhibOx has invested heavily in establishing robust and secure processes for building and updating our Scopius compound database: with over 112 million molecules, it is among the world's largest high-quality databases of commercially available and easily synthesized drug candidate compounds.
Scopius-CSpace is an evolving database of over 12 million unique commercially available compounds, from over 60 vendors, canonically standardized and updated on a regular basis.
Scopius-VSpace is a virtual library of over 100 million compounds. All entries are filtered to meet our drug-like criteria and are stored with synthesis path details, three-dimensional conformational models, along with shape, charge and other physico-chemical descriptors.
Scopius-FSpace is a fragment library used in conjunction with our fragment-based design system. Drug-like entries in Scopius-CSpace are marked at possible fragmentation points to create a library of available fragments.
We use a combination of structure- and ligand-based virtual screening to find ligands for target proteins.
ElectroShape is a super-fast, proprietary ligand-based tool that captures the shape and charge distribution of molecules in a set of numeric descriptors. Without the need to align the structures, the method is able to search a database of millions of commerically-available compounds in just a few minutes.
Our structure-based virtual screening uses a combination of in-house and commercial docking tools to fit database compounds into a protein. This is combined with additional scoring techniques to identify molecules for purchase.