Focused On-demand Library for Dual specificity protein kinase CLK2

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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.

PARTNER
Receptor.AI
 
UPACC
P49760

UPID:
CLK2_HUMAN

ALTERNATIVE NAMES:
CDC-like kinase 2

ALTERNATIVE UPACC:
P49760; B1AVS9; B5MBX6; Q96CQ0

BACKGROUND:
The enzyme Dual specificity protein kinase CLK2, alternatively named CDC-like kinase 2, is crucial for multiple cellular mechanisms, including the regulation of RNA splicing and glucose metabolism. It achieves this through the phosphorylation of various substrates, such as SR proteins and PPARGC1A, affecting their activity and localization. Additionally, CLK2 is involved in the alternative splicing of tissue factor pre-mRNA in endothelial cells and modulates the transcriptional activator activity of JUN through the phosphorylation of PAGE4.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Dual specificity protein kinase CLK2 holds promise for unveiling novel therapeutic avenues.

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