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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.

Most popular library formats

Catalog No.
Compounds
Plates
Amount
Format
Price

Catalog No.

GML-2470-Y-0

Compounds

2 470

Plates

8

Amount

≤150 nL of 2 mM DMSO solutions

Format

384-well plates Greiner Cat. No. 784201, 1, 2 & 23, 24 columns empty; 320compounds

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Catalog No.

GML-2470-Z-5

Compounds

2 470

Plates

2

Amount

5 µL of 10 mM DMSO stock solutions

Format

1536-well plates, Labcyte Cat No. LP-0400, 1280 compounds per plate

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Catalog No.

GMLL-2470-Y-25

Compounds

2 470

Plates

8

Amount

25 µL of 10 mM DMSO solutions

Format

384-well plates Greiner Cat. No. 784076, 1, 2 & 23, 24 columns empty; 320 compounds

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Please request for any other options through our contact form. We will be happy to deliver our library in any convenient for your project formats.

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

  • Plated libraries in stock:


    Glycomimetic Library
    Library code: GML-2470
    Version: 18 May 2020
    2 470 compounds

Molecular properties

MW

140 … 450

ClogP

-3 … 4

HBD

1 … 6

HBA

2 … 10

TPSA, Å2

32 … 160

Rings

1 … 5

Fsp3

0.3 … 1

S + Cl

≤ 2

Sulfo and Cyano group

≤ 1

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