Focused On-demand Library for Sphingosine kinase 1

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 use our state-of-the-art dedicated workflow for designing 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:

Acetyltransferase SPHK1

Alternative UPACC:

Q9NYA1; Q8N632; Q96GK1; Q9HD92; Q9NY70; Q9NYL3


Sphingosine kinase 1, also known as Acetyltransferase SPHK1, plays a pivotal role in cellular processes by catalyzing the phosphorylation of sphingosine to sphingosine 1-phosphate (SPP). This enzyme is crucial for cell growth, survival, and the regulation of inflammatory responses. It uniquely acts on D-erythro-sphingosine and sphinganine, showcasing specificity towards its substrates. Its involvement extends to neuroinflammation, where it influences the secretion of inflammatory mediators and participates in endocytic membrane trafficking.

Therapeutic significance:

Understanding the role of Sphingosine kinase 1 could open doors to potential therapeutic strategies. Its central role in cell survival, growth, and inflammation positions it as a key target for drug discovery efforts aimed at treating diseases with underlying inflammatory and neuroinflammatory components.

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