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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
O75354
UPID:
ENTP6_HUMAN
Alternative names:
CD39 antigen-like 2
Alternative UPACC:
O75354; A6NCX6; D3DW49; Q5QPJ2; Q5QPJ5; Q7Z5B5; Q8N3H3; Q8TAS7; Q9UJD1
Background:
Ectonucleoside triphosphate diphosphohydrolase 6, also known as CD39 antigen-like 2, plays a crucial role in cellular processes by catalyzing the hydrolysis of nucleoside triphosphates and diphosphates in a calcium- or magnesium-dependent manner. It shows a strong preference for nucleoside diphosphates, especially hydrolyzing GDP, IDP, and UDP, and supports glycosylation reactions in the Golgi apparatus.
Therapeutic significance:
Understanding the role of Ectonucleoside triphosphate diphosphohydrolase 6 could open doors to potential therapeutic strategies.