Lipid GPCR Library
A sub-library of Enamine’s GPCR Library designed for discovery of novel lipid GPCR ligands
5 440 compounds
Enamine’s Lipid GPCR Library has been designed in collaboration with NQuiX. Over 5 440 compounds have been selected from off-the-shelf collection or specifically synthesized for this project from Enamine REAL screening Collection. They were designed to target the family of eight endothelial differentiation gene (EDG) receptors (S1P1–5 and LPA1–3). The compounds may also be appropriate for screening at GPR3, GPR6 and GPR12 orphan receptors given some TM bundle binding site similarity and/or GPR23, GPR92 and P2Y5 given their more recent classification as additional, albeit distinct, LPA receptors.
Typical Formats
Catalog No.
LGR-5-Y-0
Compounds
5 440 157 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.
LGR-5-Z-5
Compounds
5 440 40 plates
Amount
5 µL of 10 mM DMSO stock 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.
LGR-5-Y-50
Compounds
5 440 157 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.
LGR-5
Compounds
5 440
Amount
Custom
Plates and formats
Any custom format
Price
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Library design
The compounds have been selected using a combination of ligand-based methods using chemical fingerprints, 2D pharmacophores and 3D shape/feature matches (Figure 1). The training active compound set included 1 393 compounds (870 acidic and 523 non-acidic), collected across 73 papers (Figure 2). They represent a combination of compounds for expanding SAR around known chemotypes and scaffold hops seeking novelty. The current set of compounds covers the non-acidic classes of ligand, with acidic compounds being designed via a different procedure and added to the library separately.
Fig. 1.Dedicated design of the compounds included in the Library (general scheme).
Fig. 2. Distribution of the compounds in the training set.
