GPCR Library
Designed for discovery of new GPCR ligands
54 080 compounds
G protein coupled-receptors (GPCRs) are to date the most successful family of druggable targets in modern Drug Discovery. More than 1/3 of all approved drugs target GPCRs.
We have carefully selected 54 080 diverse compounds specifically targeting GPCR's. All compounds are stored as dry materials and they can be acquired in diverse custom formats. Alternatively, we can promptly supply a copy of the pre-plated GPCR Library having 54 080 compounds, that can be also made in a customized ready-to-screen formats. Using our GPCR Library for hit discovery you receive multiple benefits allowing you to save on time and costs in lead generation:
- Dry stock of over 4M compounds for hit resupply and hit expansion
- Low-cost synthesis of analogues within only 3 weeks through our REAL Database technology
- Medicinal chemistry support enhanced with on-site broad ADME/T panel
You have also an option to screen the library directly at Enamine. In this case we will be happy to offer you discount on library cost depending on the collaboration scope.
Typical Formats
Catalog No.
GPR-54-Y-0
Compounds
54 080 169 plates
Amount
Any suitable for 1 assay
Plates and formats
384-well microplates, first two and last two columns empty, 320 compounds per plate
Price
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Catalog No.
GPR-54-Z-5
Compounds
54 080 43 plates
Amount
5 µL of 10 mM DMSO solutions
Plates and formats
1536-well microplates, Echo Qualified, first four and last four columns empty, 1280 compounds per plate
Price
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Catalog No.
GPR-54-Y-50
Compounds
54 080 169 plates
Amount
50 µL of 10 mM DMSO solutions
Plates and formats
384-well microplates, first two and last two columns empty, 320 compounds per plate
Price
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Catalog No.
GPR-54
Compounds
54 080
Amount
Custom
Plates and formats
Any custom format
Price
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Download SD files
Library code: AGR-14
Version: 6 June 2020
14 400 compounds
sublibrary of GPR-54
Library design
We used combination of different in silico approaches to design our GPCR Library. The library covers a wide range of GPCR-targets and possesses most important features for initial Drug Discovery – Novelty and High Diversity. A combined approach, including framework 2D-fingerprint similarity search, careful selection of GPCR-privileged scaffolds and common structural motifs with extension by 3D pharmacophore searches, was used to search of potential actives. MedChem refinements were applied to the combined pool of compounds, resulting in a unique set of 54 080 high quality small molecules.
All compounds from Enamine's GPCR Library possess high chemical novelty and drug-like molecular properties with attractive structures.
The following molecular parameters were applied in construction of the library: MW = 200...550, ClogP = -1.5...5.5, TPSA ≤ 150 Å2, RotBonds ≤ 9, HBD/HBA ≤ 4/10.
Examples of the molecules
Examples of compounds from GPCR Library having pharmacophore similarity to Ambrisentan and bearing scaffolds that are bioisosteric to the spiro-piperidine-indane privileged fragment
Novel sp3-enriched scaffolds specifically designed as cores for Enamine's GPCR Library
Enamine's GPCR Library includes two sub-libraries focusing on allosteric modulators and lipid GPCRs.
