Orion Ready-for-Search Library Collection
Making your ultra large scale virtual screening faster and easier
Orion® provides a single point of access to various databases, including libraries from commercial vendors, making your ultra-large-scale virtual screening faster and easier.
You no longer need to access different vendors’ sites or manually process their data. Orion does the work for you! This enables you to efficiently perform structure-based and ligand-based searches by 2D similarity, 3D shape (FastROCS™), and 3D docking (Gigadock™), at an ultra large scale.
Through Orion, you can rapidly search billions of stereoenumerated molecules, encompassing tens of billions of conformers. This means you could identify promising drug-like molecules from billions of compounds in seconds (for 2D) and in as little as 30 minutes (for 3D) at a fraction of the cost of in vitro high-throughput screening assays.
Single point access to more than 24 billion stereoenumerated molecules from commercial vendors
Available Commercial Compound Databases
OpenEye maintains and updates the following libraries so that you will always have ready access within Orion. Your results include compounds that are readily available from reputable chemical vendors.
Enamine REAL Database and Diversity Set
REAL Database: >17 Billion Stereoenumerated Molecules
REAL Diversity: >87 Million Stereoenumerated Molecules
WuXi GalaXi
Virtual Library Phase 3: >5 Billion Stereoenumerated Molecules
Mcule Ultimate
ULTIMATE Express: >17 Million Stereoenumerated Molecules
ULTIMATE Express 1: >590 Thousand Stereoenumerated Molecules
Synple Chem
Diversity: >2 Billion Stereoenumerated Molecules
Disclaimer: Commercially available vendor databases will be updated in Orion periodically based on content availability from those vendors. Neither the availability of these vendor databases nor the compounds in them within Orion constitute or imply endorsement or recommendation by OpenEye Scientific.
miniCUP San Francisco 2024
BAGIM Holiday Event
miniCUP Boston 2024
OpenEye Releases Additional Virtual Screening COVID-19 Data to Public
Accelerating Similarity and Substructure Searches
miniWebinar: Opening up the druggable universe one cryptic pocket at a time
CUP XXIV - Santa Fe March 4-6, 2025
Essentials of Computational Drug Discovery | Sep-Dec 2024
Easier is Better
Relative Binding Free Energy with Non-Equilibrium Switching in Orion
OpenEye deploys the Orion platform to find COVID-19 therapeutics
Conversations at CUP: Paul Hawkins & John D. Chodera
Conversations at CUP: Geoff Skillman & Charlotte Deane
CCDC’s GOLD Now Available on Orion®
Conversations at CUP: Anthony Nicholls & Christian Cortis
Orion Integrates Synple Chem to Generate Hits On-Demand