Focused On-demand Library for Cyclin-dependent kinase inhibitor 3

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.







Alternative names:

CDK2-associated dual-specificity phosphatase; Cyclin-dependent kinase interactor 1; Cyclin-dependent kinase-interacting protein 2; Kinase-associated phosphatase

Alternative UPACC:

Q16667; Q53ZU6; Q5U0M4; Q6P1N8; Q99585; Q9BPW7; Q9BY36; Q9C042; Q9C046; Q9C047; Q9C049; Q9C051; Q9C053


Cyclin-dependent kinase inhibitor 3 (CDK2-associated dual-specificity phosphatase) plays a crucial role in cell cycle regulation. It exhibits dual specificity phosphatase activity, targeting substrates with phosphotyrosine or phosphoserine residues. Notably, it dephosphorylates CDK2, influencing cyclin-dependent processes.

Therapeutic significance:

Given its involvement in hepatocellular carcinoma pathogenesis, understanding the role of Cyclin-dependent kinase inhibitor 3 could lead to novel therapeutic strategies targeting this primary liver cancer, especially considering the disease's association with chronic viral infections and cirrhosis.

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