Novel Diversity Set of Cysteine Covalent Inhibitors for efficient hit finding

October 24, 2022

We present our original and brand-new Cys-focused Diversity Screening Set as a convenient starting point for covalent screening in drug discovery projects.

The entire Library of Cysteine Focused Covalent Inhibitors of almost 14,000 potential cysteine covalent binders was refined by means of modern machine learning methods and diversity filtering to select over 3,800 most-promising screening compounds that could react with cysteine residues of a drug target reversibly or irreversibly.

Key features

  • Novel screening compounds synthesized in-house
  • Cherry-picking and chemoinformatics assistance
  • Only drug-like molecules: the Lipinski's Rule of Five and Veber criteria compliant
  • No PAINS (A, B, C families), toxic, reactive, and unstable compounds
  • Over 90 % purity confirmed by LCMS and/or NMR data
  • Hit re-supply, product scale-up
  • Compound library design, combinatorial synthesis based on found hits
  • Competitive pricing and convenient terms

Please, contact us at for any additional information and price quotations.

Of special interest can be some more selections related to Cysteine Focused Covalent Inhibitors, including:
Figure 1. Covalent warhead distribution for compounds in the Diversity Screening Set of the Cysteine-focused Covalent Inhibitor Library
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