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.
Compounds
Amount
Format
Price

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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Get more details

Download SD files

Glycomimetic Library

Library code: GML-2470

Version: 24 May 2020

2 470 compounds

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.

Examples of the molecules in the library

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