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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.

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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

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

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Mcule Ultimate

Full: >54.7 Million Stereoenumerated Molecules

ULTIMATE Express: >17 Million Stereoenumerated Molecules

ULTIMATE Express 1: >590 Thousand Stereoenumerated Molecules

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Molport Screening

Screening: >6 Million Stereoenumerated Molecules

 

Publicly Available Databases

These public databases are available ready-for-searching from Orion

ChEMBL

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SureChEMBL

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Zinc15

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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.

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