GPCR Library

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.

Request

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 3.9M 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.

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.