Focused On-demand Library for N-acetylgalactosamine-6-sulfatase

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.

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 top-notch dedicated system is used to design specialised 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.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.







Alternative names:

Chondroitinsulfatase; Galactose-6-sulfate sulfatase; N-acetylgalactosamine-6-sulfate sulfatase

Alternative UPACC:

P34059; Q86VK3


N-acetylgalactosamine-6-sulfatase, known by alternative names such as Chondroitinsulfatase and Galactose-6-sulfate sulfatase, plays a crucial role in the lysosomal degradation of keratan sulfate and chondroitin-6-sulfate. This enzyme's activity is essential for the normal turnover of these glycosaminoglycans in the body.

Therapeutic significance:

The enzyme's deficiency is directly linked to Mucopolysaccharidosis 4A, a severe lysosomal storage disorder characterized by skeletal dysplasia, corneal clouding, and short stature, without affecting intelligence. Understanding the enzyme's function could lead to targeted therapies for this debilitating condition, potentially improving patient outcomes and quality of life.

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