Focused On-demand Library for Glycogen synthase kinase-3 beta

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused 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.

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:

Serine/threonine-protein kinase GSK3B

Alternative UPACC:

P49841; D3DN89; Q9BWH3; Q9UL47


Glycogen synthase kinase-3 beta (GSK3B) is a serine/threonine-protein kinase with a pivotal role in various cellular processes, including glucose homeostasis, Wnt signaling, and transcription regulation. It phosphorylates a wide array of substrates, such as glycogen synthase, EIF2B, and beta-catenin, influencing their activity and stability. GSK3B's involvement in insulin regulation, protein synthesis, and neuronal polarity underscores its importance in cellular functioning.

Therapeutic significance:

Understanding the role of Glycogen synthase kinase-3 beta could open doors to potential therapeutic strategies. Its critical functions in insulin resistance, Alzheimer's disease, and cancer highlight GSK3B as a promising target for drug discovery efforts aimed at addressing these conditions.

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