Designed for discovery of new GPCR ligands
53 440 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 53 440 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 53 440 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 4.5M 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
GPCR Library is available for supply in various pre-plated formats, including the following most popular ones:
Catalog No.
GPR-53-0-Z-10
Compounds
53 440
42 plates
Amount
≤ 300 nL of 10 mM of DMSO solutions
Plates and formats
1536-well Echo LDV microplates, first and last four columns empty, 1280 compounds per plate
Price
Catalog No.
GPR-53-10-Y-10
Compounds
53 440
167 plates
Amount
≤ 10 µL of 10 mM DMSO solutions
Plates and formats
384-well, Echo Qualified LDV microplates #001-12782 (LP-0200), first and last two columns empty, 320 compounds per plate
Price
Catalog No.
GPR-53-50-Y-10
Compounds
53 440
167 plates
Amount
50 μL of 10 mM DMSO solutions
Plates and formats
384-well, Greiner Bio-One plates #781280, 1,2 and 23,24 columns empty, 320 compounds per plate
Price
Catalog No.
Library & follow-up package
Plates and formats
GPR-53-10-Y-10 screening library 53 440 cmpds, hit resupply, analogs from 4.5M+ stock and synthesis from REAL Space
Price
*We will be happy to provide our library in any other most convenient for your project format. Please select among the following our standard microplates: Greiner Bio-One 781270, 784201, 781280, 651201 or Echo Qualified 001-12782 (LP-0200), 001-14555 (PP-0200), 001-6969 (LP-0400), C52621 or send your preferred labware. Compounds pooling can be provided upon request.
Download SD files
Library code: AGR-14
Version: 2 September 2024
14 160 compounds
sublibrary of GPR-53
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 53 440 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.
