New chemical space for discovery
REAL® Compounds are an extension to our stock Screening Collection. They are REadily AccessibLe through validated parallel synthesis using our in-stock building blocks. Ordering REAL Compounds is as easy as if they were available from stock.
Some applications include:
- Hit exploration
- Compound collection enhancement
- AI-based lead discovery
- Ultra-large virtual screening
Quick facts
- Over 64.9B novel compounds for cherry-picking
- Ship from 3 weeks
- Over 80% compounds delivered
How to access
- REAL Database. This is a database of currently 9.6B enumerated compounds, which is publicly available and free to download.
- REAL Space. A convenient chemoinformatics tool operated with infiniSee developed by BioSolveIT generates REAL Compounds on the fly. REAL Space compounds have also been enumerated in a separate effort. This database is provided on request.
- xREAL Space. 2.4 trillion molecules! This Space is available through infiniSee xREAL developed by BioSolveIT. Also available through Chemspace via their Discovery Services.
- REAL Database Subsets. A practical way to start exploring REAL Database.
- Online search. You can conveniently search for REAL Compounds using substructure and similarity queries on EnamineStore.com and chem-space.com providing access to the entire REAL Database.
Novelty
REAL Compounds are a next generation screening compound collection that allows reaching billions of previously unknown structures. Enamine continuously develops new and innovative building blocks. These building blocks provide access to enumerated libraries of novel REAL Compounds. In most cases, Enamine provides an option of supplying these compounds without publishing them in its stock catalogues and SciFinder.
Diversity
REAL Database has over 14 million Bemis-Murcko frameworks (BMF’s). We achieved this enormous variety of frameworks with 137 000 building blocks used in 167 synthetic protocols. A diversity subset of REAL Database is available here.
Drug-likeness
Ro5 and Veber's rule compliant:
- MW ≤500
- SlogP ≤ 5
- HBA ≤ 10
- HBD ≤ 5
- RotBonds ≤ 10
- TPSA ≤ 140
Prices
All REAL Compounds have flat prices. They come from two categories.
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s-REAL Compounds are synthesized via standard 1-2 step procedures with 80%+ success rate.m-REAL Compounds are 50% more expensive than s-REAL Compounds because their synthesis involves either multistep synthesis procedures, or use of expensive building blocks, or the products require special purification.
Ideas for a quick start
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Diversity set. You can make a plot screen of REAL Compounds using a diverse subset from REAL DatabaseDownload infiniSee and run search within 64.9B compounds on an ordinary computerOnline search. You can conveniently search for REAL Compounds on EnamineStore.com and chem-space.com providing access to the entire REAL Database.
Yes, REAL Compounds are not in stock, but...
- All building blocks available in OUR stock
- Each building block has already been tested to comply with synthesis procedure
- We know in advance which of the synthesis protocols developed in-house to use
...we deliver as if the compounds were available from stock
Publications that cite Enamine REAL
- SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces J Comput Aided Mol Des 2024, 38 (1), 13. DOI: 10.1007/s10822-024-00551-7
- The HZB F2X-Facility—An Efficient Crystallographic Fragment Screening Platform Applied Research 2024, in press. DOI: 10.1002/appl.202400110
- Navigating Chemical Space Computational Drug Discovery: Methods and Applications 2024, 337-363. URL: 10.1002/9783527840748.ch15
- Generative artificial intelligence for small molecule drug design Curr Opin Biotechnol 2024, 89, 103175. DOI: 10.1016/j.copbio.2024.103175
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