OpenEye provides highly curated and prepared target and ligand databases to expedite your modeling needs.
Ready-for-Search Compound Libraries
Single point access to more than 12 billion stereoenumerated molecules from reputable commercial vendors and public databases, ready for search (Orion Compound Library Collection)
Prepared Protein Structures
Access more than 100,000 pharmaceutically relevant protein structures from the Protein Data Bank (PDB) and AlphaFold, covering more than 16,000 targets; classified by functions, annotated for model quality, and readily prepared for your modeling needs (Orion MacroMolecular Data Service)
Protein Binding Sites
Rapidly compare your query protein binding site against over 200K known and over 2 Million putative protein binding sites for off-target effects or structure-activity relationship transfer (SiteHopper)
Carefully curated and validated set of highly reliable protein-ligand structures (Iridium Database)