Cysteine focused Covalent Fragments

Library of Cys-specific covalent electrophilic binders

3 200 compounds

Covalent chemical probes become an important tool in drug discovery within last few years. The impressive number of successful applications in protein drugability assessment, especially focusing on Cys residue, brought aspiration to discovery and synthesis of new covalent modifiers.

We used deep knowledge-based approach to design and synthesize our cysteine focused fragment library. Careful choice of covalent warheads based on their reactivity was performed by experienced chemists and reflected a small set of specific structural filters. Electrophilic fragments selected by structural filters were then analyzed to remove any molecules with trivial or unwanted structural features. The resulting set was refined with Ro3 criteria applied to “core structures” to yield 3 200 fragments able to form covalent bonds with cysteine residues.

Hits derived from this library can be easily followed with analogues from stock or either synthesis of new compounds through REAL Database technology.

Typical Formats

Catalog No.
Compounds
Amount
Format
Price

Catalog No.

CYS-3200-10-Y-100

Compounds

3 200
10 plates

Amount

10 µL of 100 mM DMSO solutions

Plates and formats

384-well microplates, Echo qualified Labcyte, 320 compounds per plate

Price

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Catalog No.

CYS-3200-25-Y-20

Compounds

3 200
10 plates

Amount

25 µL of 20 mM DMSO solutions

Plates and formats

384-well plates, Greiner Cat. No. 781280, 1, 2 and 23, 24 columns empty, 320 compounds per plate

Price

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Catalog No.

CYS-3200-50-X-20

Compounds

3 200
40 plates

Amount

50 µL of 20 mM DMSO solutions

Plates and formats

96-well plates, 2D-barcoded Matrix microtubes capped with sepraseals

Price

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Catalog No.

CYS-3200

Compounds

3 200

Amount

Custom

Plates and formats

Any custom format

Price

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Get more details

Download SD file

CYS focused Library

Library code: CYS-3200

Version: 12 October 2021

3 200 compounds

Key features

  • Only well-validated covalent warheads, which can form easy to interpret adducts.
  • Contains fragments with described reactivity.
  • Attractive scaffolds, derived from the latest core building blocks.

 

The following warheads were used for the library design:

 

  • Acrylamides - 1 200
  • Dimethylamine functionalized acrylamides – 480
  • Chloroacetamides – 800 & 2-Chloropropionamides – 480
  • Butynamides - 240

Examples of the molecules in Cysteine focused Library

 

Examples of the molecules in Cysteine focused Library

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