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Technology

InhibOx's proprietary 3D ElectroShape technology captures the essence of a molecule, describing both shape and charge distribution. It supports our drug discovery projects and those of our collaborators, allowing rapid virtual screening and analogue searching.

Compound Databases

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.

Virtual Screening 

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.