Focused On-demand Library for Equilibrative nucleoside transporter 3

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.


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.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We utilise our cutting-edge, exclusive workflow to develop focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.


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
Q9BZD2

UPID:
S29A3_HUMAN

ALTERNATIVE NAMES:
Solute carrier family 29 member 3

ALTERNATIVE UPACC:
Q9BZD2; B2RB50; B4E2Z9; B7ZA37; Q0VAM9; Q5T465; Q7RTT8; Q8IVZ0; Q9BWI2; Q9NUS9

BACKGROUND:
The Equilibrative nucleoside transporter 3, also known as Solute carrier family 29 member 3, mediates crucial intracellular transport functions. It ensures the facilitative transport of nucleosides across lysosomal and mitochondrial membranes, vital for the salvage synthesis of nucleic acids. ENT3's unique ability to transport a broad spectrum of molecules, including nucleosides, nucleobases, and monoamine neurotransmitters, positions it as a key player in cellular metabolism and signaling.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in the Histiocytosis-lymphadenopathy plus syndrome, ENT3 represents a promising target for drug discovery. The exploration of ENT3's functions and mechanisms could lead to innovative treatments for this and potentially other multifaceted diseases.

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