Focused On-demand Library for Ceramide synthase 3

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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.

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.

Our high-tech, dedicated method is applied to construct targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.







Alternative names:

Dihydroceramide synthase 3; LAG1 longevity assurance homolog 3; Sphingosine N-acyltransferase CERS3; Ultra-long-chain ceramide synthase CERS3; Very-long-chain ceramide synthase CERS3

Alternative UPACC:

Q8IU89; Q8NE64; Q8NEN6


Ceramide Synthase 3 (CERS3) plays a pivotal role in skin health, catalyzing the formation of ceramides with very- and ultra-long-chain fatty acids. These ceramides are essential for maintaining the epidermal lipid barrier and facilitating skin cell differentiation. CERS3's specificity towards sphinganine and sphingosine bases underscores its critical function in both the de novo synthesis and salvage pathways of ceramide production.

Therapeutic significance:

CERS3's mutation leads to Ichthyosis, congenital, autosomal recessive 9, characterized by abnormal skin scaling. Understanding the role of Ceramide Synthase 3 could open doors to potential therapeutic strategies for treating skin disorders by restoring epidermal lipid homeostasis and promoting healthy skin differentiation.

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