Focused On-demand Library for 3-ketodihydrosphingosine reductase

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 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:

3-dehydrosphinganine reductase; Follicular variant translocation protein 1; Short chain dehydrogenase/reductase family 35C member 1

Alternative UPACC:

Q06136; B2R5Y1; B4DMX0


3-ketodihydrosphingosine reductase, also known as 3-dehydrosphinganine reductase, plays a crucial role in sphingolipid metabolism by catalyzing the reduction of 3-ketodihydrosphingosine to dihydrosphingosine. This enzyme's activity is pivotal in the synthesis of complex sphingolipids, essential components of cell membranes and involved in various cellular processes.

Therapeutic significance:

The enzyme's link to Erythrokeratodermia variabilis et progressiva 4, a skin disorder characterized by erythema and hyperkeratosis, highlights its potential as a therapeutic target. Understanding the enzyme's role could lead to novel treatments for this and possibly other related skin conditions.

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