Our database contains more than 10.4 million compounds and is still growing. Despite it containing quite a large number of compounds we are screening only a tiny proportion of all chemical space which contains more than 1080 compounds. We have compiled the following libraries of compounds that are ready for virtual screening.
Library of FDA approved drugs and drugs in clinical tests
8700 compounds divided into small packages containing 100 compounds. This library can be used for the drug repurposing projects. The structures were cleaned and prepared for screening with Openbabel software.
SIZE OF PACKAGE: 100
LOCATION OF PACKAGES: 1 -87
Mu.Ta.Lig. Virtual Chemotheca
- A library developed during Mu.Ta.Lig Cost action.
“For each lead compound developed in medicinal chemistry research, several other inactive or less active molecules are synthesized/isolated and tested. These chemical entities are useful for deriving structure-activity relationships concerning the original target, but their development and application stop, in the best cases, in a scientific manuscript and they are forgotten in some storage area. Inactive or poorly active compounds could live a second life by testing them for other targets.”
This library contains more than 65000 compounds. Selected molecules from the library can be acquired directly from their owners who are free to take accord as they like, without intermediation by Mu.Ta.Lig Virtual Chemotheca management.
SIZE OF PACKAGE: 1000
LOCATION OF PACKAGES: 1300-1365
Hit Locator Library from Enamine
- A sizable, highly diverse screening set of more than 300 000 compounds.
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- Over 25% of the compounds from HLL were synthesized within the last four years, providing a competitive advantage to access the latest compounds in primary screening campaigns.
- HTS at Enamine allows immediate access the entire HLL with a low-cost, access-only fee, including hit confirmation from fresh powders and broad possibilities for express hit expansion either from stock or from the REAL database.
- The Core Set of Hit Locator Library contains 300 115 compounds and is available for prompt supply in convenient pre-plated formats.
SIZE OF PACKAGE: 1000
LOCATION OF PACKAGES: 1400-1700
10M unique purchasable compounds
SIZE OF PACKAGE: 1000
LOCATION OF PACKAGES: 4000-14000