Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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 screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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.


PARTNER
Receptor.AI
 
UPACC
P62068

UPID:
UBP46_HUMAN

ALTERNATIVE NAMES:
Deubiquitinating enzyme 46; Ubiquitin thioesterase 46; Ubiquitin-specific-processing protease 46

ALTERNATIVE UPACC:
P62068; B7Z3Y7; B7Z675; B7Z7S3; G8ACC7; Q80V95; Q9H7U4; Q9H9T8

BACKGROUND:
Ubiquitin carboxyl-terminal hydrolase 46 functions significantly in the nervous system by modulating GABAergic signaling. This enzyme, requiring WDR48 for high deubiquitinating activity, specifically targets GAD1/GAD67 but not monoubiquitinated FANCD2. Its alternative names include Deubiquitinating enzyme 46, Ubiquitin thioesterase 46, and Ubiquitin-specific-processing protease 46.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Ubiquitin carboxyl-terminal hydrolase 46 offers a promising avenue for developing treatments targeting neurological conditions, by modulating GABAergic functions.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.