Focused On-demand Library for Protein SET

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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:

HLA-DR-associated protein II; Inhibitor of granzyme A-activated DNase; PHAPII; Phosphatase 2A inhibitor I2PP2A; Template-activating factor I

Alternative UPACC:

Q01105; A5A5H4; A6NGV1; B4DUE2; Q15541; Q5VXV1; Q5VXV2; Q6FHZ5


Protein SET, also known as Inhibitor of granzyme A-activated DNase, plays a crucial role in apoptosis, transcription, and nucleosome assembly. It functions as a multitasking entity, with isoforms that inhibit protein phosphatase 2A and modulate histone acetylation, impacting gene expression and DNA replication.

Therapeutic significance:

Linked to Intellectual developmental disorder, autosomal dominant 58, Protein SET's involvement in neurodevelopmental disorders highlights its potential as a target for therapeutic intervention. Understanding its role could pave the way for novel treatments.

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