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 handles this for you. This enables you to efficiently perform structure-based and ligand-based searches using 2D similarity (Molecule Search, 3D shape (FastROCS™, Molecule Search), and 3D docking (Gigadock®, Gigadock Warp), or any combination thereof, 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 minutes (for 3D), which is 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.
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Enamine REAL Database and Diversity Set
REAL Database: >23 Billion Stereoenumerated Molecules
REAL Diversity: >1.7 Billion Stereoenumerated Molecules
HTS: >3.2 Million Stereoenumerated Molecules

Mcule Ultimate
Full: >54.7 Million Stereoenumerated Molecules
ULTIMATE Express: >17 Million Stereoenumerated Molecules
ULTIMATE Express 1: >590 Thousand 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.
Over 800x Speed-Up on Orion to Enable Rapid and Reliable Drug Design
Expanding Orion’s Capabilities with AI
miniWebinar | Shape and color: A unifying principle for modeling molecules
miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening
Resources
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Webinar
miniWebinar: Opening up the druggable universe one cryptic pocket at a time
News
Over 800x Speed-Up on Orion to Enable Rapid and Reliable Drug Design

