Focused On-demand Library for Nucleoside diphosphate phosphatase ENTPD5

Details

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.


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

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
O75356

UPID:
ENTP5_HUMAN

ALTERNATIVE NAMES:
CD39 antigen-like 4; ER-UDPase; Ectonucleoside triphosphate diphosphohydrolase 5; Guanosine-diphosphatase ENTPD5; Inosine diphosphate phosphatase ENTPD5; Nucleoside diphosphatase; Uridine-diphosphatase ENTPD5

ALTERNATIVE UPACC:
O75356; A1L4C5; Q96RX0

BACKGROUND:
The protein Nucleoside diphosphate phosphatase ENTPD5, also referred to as Ectonucleoside triphosphate diphosphohydrolase 5 and Uridine-diphosphatase ENTPD5, is pivotal in the hydrolysis of nucleoside diphosphates. It preferentially targets GDP, IDP, and UDP, facilitating the clearance of UDP from the ER lumen and promoting UDP-glucose regeneration. This action supports the critical process of protein reglucosylation, necessary for the proper folding and quality control of glycoproteins in the endoplasmic reticulum.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of Nucleoside diphosphate phosphatase ENTPD5 offers a promising avenue for developing therapeutic interventions. Its key role in ensuring the fidelity of glycoprotein folding and maintenance of cellular homeostasis underscores its potential as a target in therapeutic strategy formulation.

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