05.4 Enamine
5.4 Enamine
1. Available structures can be checked out in the “SCREENING LIBRARIES” section.
2. Select any library which matches your purpose.
3. Screening Collection (frequently used, relatively small databases)
There are four separate collections of compounds that can be used for virtual screening (VS). They are available in sdf format which can be easily opened via DataWarrior. These four databases are relatively smaller when compared with the Real-series, as they have compounds in a range of 10k to 2M.
4. Real Compound Libraries (frequently used, relatively large databases)
They have relatively large collections of compounds which therefore require extra CPU/GPU resources to support the examination process. (Note: Some of them are only available in SMILES format. If you prefer to use the sdf format of these compound collections, either using OpenBabel or clicking the “Request” would help you obtain the ideal files.)
5. Check compounds in EnamineStore
Each compound in the database has an Enamine ID which can be checked out individually via EnamineStore for any desired information (structural formats, physical/chemical properties, pricings, etc).
6. Search by structure or similarity for advanced purposes.
