Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 use our state-of-the-art dedicated workflow for designing 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9Y5L3
UPID:
ENTP2_HUMAN
Alternative names:
CD39 antigen-like 1; Ecto-ATP diphosphohydrolase 2
Alternative UPACC:
Q9Y5L3; O15464; Q5SPY6; Q5SPY7
Background:
Ectonucleoside triphosphate diphosphohydrolase 2, also known as CD39 antigen-like 1, plays a pivotal role in the nervous system by hydrolyzing ATP and other nucleotides, thus regulating purinergic neurotransmission. Its enzymatic activity prioritizes ATP, followed by GTP, CTP, ITP, and UTP, with ADP and UDP being the least affected substrates.
Therapeutic significance:
Understanding the role of Ectonucleoside triphosphate diphosphohydrolase 2 could open doors to potential therapeutic strategies.