Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 Reaxense.


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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening 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.


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
O15357

UPID:
SHIP2_HUMAN

ALTERNATIVE NAMES:
Inositol polyphosphate phosphatase-like protein 1; Protein 51C; SH2 domain-containing inositol 5'-phosphatase 2

ALTERNATIVE UPACC:
O15357; B2RTX5; Q13577; Q13578

BACKGROUND:
The protein Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2, with aliases such as Protein 51C, is integral to regulating PI3K-dependent insulin signaling and actin structure maintenance. It modulates cellular responses to insulin, participates in cell adhesion, spreading, and plays a role in neuritogenesis by controlling PtdIns(3,4,5)P3 levels.

THERAPEUTIC SIGNIFICANCE:
This protein's involvement in diseases like Type 2 diabetes mellitus and Opsismodysplasia underscores its therapeutic significance. Exploring the role of Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 could unveil new therapeutic avenues, offering hope for advancements in treatment modalities.

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.