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 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q86UY8
UPID:
NT5D3_HUMAN
Alternative names:
GRP94-neighboring nucleotidase
Alternative UPACC:
Q86UY8; Q9NUM7; Q9P2T2; Q9P2T3
Background:
The 5'-nucleotidase domain-containing protein 3, also known as GRP94-neighboring nucleotidase, plays a crucial role in cellular processes. Its involvement in nucleotide metabolism underscores its importance in maintaining cellular homeostasis and function.
Therapeutic significance:
Understanding the role of 5'-nucleotidase domain-containing protein 3 could open doors to potential therapeutic strategies. Its pivotal role in nucleotide metabolism makes it a target of interest for drug discovery efforts aimed at modulating cellular processes.