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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 2.6 M 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.

Most popular library formats

Item
Catalog No.
Compounds
Plates
Amount
Format

Item

1

Catalog No.

GPR-54-Y-0

Compounds

54 080

Plates

169

Amount

Any suitable for 1 assay

Format

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

Item

2

Catalog No.

GPR-54-Z-10

Compounds

54 080

Plates

43

Amount

10 µL of 10 mM
DMSO stock solutions

Format

1536-well microplates, Echo Qualified,
1280 cmpds per plate, first four and last four columns empty

Item

3

Catalog No.

GPR-54-Y-50

Compounds

54 080

Plates

169

Amount

50 µL of 10 mM
DMSO solutions

Format

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

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 54 500 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.

GPCR Library

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