Relibase+ is a web-based system for the secure storage and in-depth analysis of both public and proprietary structural data


Relibase+ is a database search, retrieval and analysis system for protein-ligand structures. Relibase+ provides easy access to all such experimental structures within the Protein Data Bank (PDB) and, in addition, offers the facility for generating and managing proprietary databases, searchable alongside the PDB.

With an intuitive and easily accessible web-browser interface Relibase+ is the ideal platform for sharing structural data and results across your entire organisation. Clear 3D visualisation, comprehensive hitlist management, and extensive export options further facilitate the sharing of results.

Sophisticated search and analysis functionality enables you to:

  • Perform data mining based on text, 2D substructure, SMILES and SMARTS strings. 3D protein-ligand interaction searches can be easily performed using the integrated sketcher.
  • Identify protein flexibility, ligand overlap, and conserved water positions using automatic superimposition and detailed analysis of related binding sites
  • Quickly assess the quality of protein models, validate the geometries of bound ligands and identify potentially erroneous water molecules.
  • Identify interesting chemistry and predict cross-activity. The unique cavity similarity search method in Relibase+ compares cavities through their surface properties and topologies, thus allowing you to detect unexpected similarities between structures even when they have no obvious primary- or secondary-structure relationship.


The cavity similarity search method compares cavities through their surface properties and topologies. The ligand imatinib (gleevec) is shown bound to Abl kinase (2hyy). The surface around the ligand corresponds to the active site of 2hyy. The surface patches are coloured relative to their property.