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Building Block Catalogue

225 Thousand compounds in stock

Original and unique

Make-on-demand
Building Blocks

210 Million novel building blocks

Reliable supply

Custom Synthesis

Over 650 highly skillful chemists

Unique synthesis technologies

Library Synthesis

14 Billion REAL compounds and

Custom Library Synthesis

FTE Chemistry Support

On site access to all Enamine stock BB’s

Highly flexible arrangements

2 000 new building blocks are synthesized monthly. Here is an important update to our MedChem Highlights from September 2020

Recent News

  • 24 September 2020   Press Releases

    Enamine is selected for Horizon 2020 global project “AIDD” ...

    Enamine Ltd., a leading chemical research organization and producer of the world’s largest collections of novel building blocks (225,000+) and screening compound libraries (2,740,000+), has joined the Advanced Machine Learning for Innovative Drug Discovery (AIDD) program, funded by the European Union within the framework of the Marie-Skłodowska-Curie Actions (MSCA) with a budget of Euros 3.93 million. The project, coordinated by Helmholtz Zentrum München,Germany, brings together fifteen institutions from eleven countries in addition to the University of British Columbia (Canada) to train sixteen PhD students in close collaboration with associated partners from the USA, Australia, China, Israel and other countries and develop next generation AI and Machine Learning (ML) models and systems for drug discovery.

    Read press release
  • 17 September 2020   Press Releases

    Enamine Ltd. Released Coronavirus Library to Support COVID-19 Research ...

    Enamine Ltd., a leading chemical research organization and producer of the world’s largest collections of novel building blocks (225,000+) and screening compound libraries (2,740,000+), today announced the release of the Coronavirus Library. The new screening library capitalizes on Enamine’s decades of chemical R&D, advanced library design expertise, and experience with creating focused antiviral libraries. Enamine is a participant of a global Open Science initiative “COVID Moonshot”, aimed at discovering novel therapeutics against SARS-CoV-2.

    Read press release

  • 15 April 2020   Press Releases

    Enamine and Chemspace collaborate with Blue Dolphin Lead ...

    Today Enamine, a leading provider of small molecules and drug discovery services, Chemspace, an online catalog with the largest offer of small molecules to search and buy, and Blue Dolphin Lead Discovery, a research organization focused on a fee-for-service virtual screening, announced the launch of the collaboration to support drug discovery projects.

    Read press release

Upcoming events

3D Pharmacophore Diversity Set

Ro5 compliant 3D Pharmacophoric Diversity Set

4 800 compounds

3D-Pharmacophore Diversity set (3DS) was designed for optimal coverage of pharmacophoric shapes maintaining high level of diversity. 3DS library will be a useful tool for screening against a wide range of both validated and novel biological targets. Carefully developed selection algorithm ensures quality of initial hits enabling fast hit follow-up using stock-available analogs and validated synthetic chemistry protocols.

Library design

Wide range of filtering methods was used for selection of drug-like compounds with maximum 3D-pharmacophore coverage and uniform distribution:

  • Combination of cheminformatics protocols to provide the rational distribution in chemical space: bCUT descriptors, cell-based diversity analysis in 2D and 3D plots, both h-s and h-suppressed binary descriptors were used.
  • Strict filtering using 3D structure-based analysis. Only centroid molecules were selected for further processing with 3-point pharmacophore comparative analysis.
  • 2Dprop analysis (ClogP, logS tPSA, HBD, HBA, rotatable bonds count, ring number), PMI and fingerprint-based diversity (linear fingerprints).

Spatial representation of compounds distribution in 3D chemical space based on a set of 2D properties, PCA approach.

PMI plot demonstrates good distribution of selected compounds subset by molecular shape (diversity set represented as light green circles).

 

Example of 3D-pharmacophore with spatial constraints.

Pharmacophore space with each unique 3-point pharmacophore was generated based on 3D pharmacophore descriptors and represents potential interaction map between compound and biological target.

The following molecular features were used to create 3-point pharmacophores: H-bond donors, H-bond acceptors, positively charged centers, negative charges and hydrophobic areas (pharmacophore graph with triangle fingerprints).

Examples of the molecules

Library formats

Item
Catalog #
# of cpds
Amount
Format

Item

1

Catalog #

3DS-Y-0

# of cpds

4 800

Amount

Assay-ready plates,
≤ 2 µL of 10 mM
DMSO solution

Plates and format

384-well plates, 320 cpds per plate:
first two and last two columns empty

Item

2

Catalog #

3DS-Z-0

# of cpds

4 800

Amount

Assay-ready plates,
≤ 2 µL of 10 mM
DMSO solution

Plates and format

1536-well plates, 1280 cpds per plate:
first two and last two columns empty

Item

3

Catalog #

3DS-Y-50

# of cpds

4 800

Amount

50 µL of 10 mM
DMSO solution

Plates and format

384-well plates, 320 cpds/per plate:
first two and last two columns empty

Item

4

Catalog #

3DS-X-100

# of cpds

4 800

Amount

100 µL of 10 mM
DMSO solution

Plates and format

96-well plates, 80 cpds/per plate:
first and last columns empty

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