Focused On-demand Library for Ataxin-3

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

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:

Machado-Joseph disease protein 1; Spinocerebellar ataxia type 3 protein

Alternative UPACC:

P54252; A7LFZ5; D6RDL9; E9PB63; O15284; O15285; O15286; Q8N189; Q96TC3; Q96TC4; Q9H3N0


Ataxin-3, known as Machado-Joseph disease protein 1 or Spinocerebellar ataxia type 3 protein, plays a crucial role in protein homeostasis, transcription regulation, and autophagy. It functions by binding and trimming long polyubiquitin chains, and is involved in the degradation of misfolded chaperone substrates through its interaction with STUB1/CHIP.

Therapeutic significance:

Spinocerebellar ataxia 3, a disorder characterized by progressive incoordination and cerebellum degeneration, is directly linked to mutations in the Ataxin-3 gene. Understanding the role of Ataxin-3 could open doors to potential therapeutic strategies for this and related neurodegenerative diseases.

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