Focused On-demand Library for Serine/threonine-protein kinase Chk1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.







Alternative names:

CHK1 checkpoint homolog; Cell cycle checkpoint kinase; Checkpoint kinase-1

Alternative UPACC:

O14757; A8K934; B4DDD0; B4DSK3; B5BTY6; F5H7S4; H2BI51


Serine/threonine-protein kinase Chk1, known as CHK1 checkpoint homolog, plays a pivotal role in DNA damage response, ensuring cell cycle arrest and DNA repair. It regulates the cell cycle by phosphorylating key substrates like CDC25A and CDC25C, inhibiting their activity to prevent cell cycle progression. Chk1's ability to phosphorylate RAD51 and TP53 underscores its critical function in maintaining genomic integrity by promoting DNA repair and cell cycle arrest.

Therapeutic significance:

Understanding the role of Serine/threonine-protein kinase Chk1 could open doors to potential therapeutic strategies. Its central role in DNA damage response and cell cycle regulation makes it a promising target for developing treatments for diseases characterized by genomic instability.

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