Glycomimetic Library
Specially synthesized set of compounds able to mimic glycosides and their interaction with proteins
2 470 compounds
The main emphasis in the library design was made on drug-like compounds enriched with H-bond donors (possess at least two H-bond donors) and bearing nature-like Fsp3–rich scaffolds with diverse spatial orientation of H-bond donors and different 3D-shapes. We suppose the library application would identify new attractive chemotypes which correspond to drug-/lead-like criteria and on the other hand participate in key interactions similar to glycoside binding in the active site of the targets.
Typical Formats
Catalog No.
GML-2470-Y-0
Compounds
2 470
8 plates
Amount
≤150 nL of 2 mM DMSO solutions
Plates and formats
384-well plates Greiner Cat. No. 784201,
1, 2 & 23, 24 columns empty;
320 compounds per plate
Price
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Catalog No.
GML-2470-Z-5
Compounds
2 470
2 plates
Amount
5 µL of 10 mM DMSO stock solutions
Plates and formats
1536-well plates, Labcyte Cat No. LP-0400,
1280 compounds per plate
Price
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Catalog No.
GML-2470-Y-25
Compounds
2 470
8 plates
Amount
25 µL of 10 mM DMSO solutions
Plates and formats
384-well plates Greiner Cat. No. 784076,
1, 2 & 23, 24 columns empty;
320 compounds per plate
Price
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Catalog No.
GML-2470
Compounds
2 470
Amount
Custom
Plates and formats
Any custom format
Price
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Library design
- Privileged core fragments and side chain functionalities:
- cyclic amino alcohols, cyclic glycols
- O,N-containing aliphatic rings
- polyalcohols
- Nature-likeness scoring algorithm: Taverna 2.5 workbench, similarity to available NP databases
- MedChem structural filters, removal of common and trivial chemotypes: PAINS, REOS, Elli Lily rules and strict Enamine filters
Training set of known glycosides was collected from the public available e-databases, scientific literature and evaluated to define the optimal range of molecular parameters.