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Orion® Ready-for-Search Library Collection

Making your large scale virtual screening faster and easier

Orion provides a single point of access to various databases, including commercial vendors’ libraries, making your 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.

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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, Fragments, and Diversity Set

8.4 Billion Stereoenumerated Molecules

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WuXi GalaXi

1.1 Billion Stereoenumerated Molecules

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Mcule Ultimate

214 Million Stereoenumerated Molecules

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Molport Screening

4.7 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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