Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 our partner Reaxense.
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.
Our high-tech, dedicated method is applied to construct targeted 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
Q7L1S5
UPID:
CHST9_HUMAN
Alternative names:
GalNAc-4-O-sulfotransferase 2; N-acetylgalactosamine-4-O-sulfotransferase 2
Alternative UPACC:
Q7L1S5; Q6UX69; Q9BXH3; Q9BXH4; Q9BZW9
Background:
Carbohydrate sulfotransferase 9, also known as GalNAc-4-O-sulfotransferase 2, plays a crucial role in the biosynthesis of glycoprotein hormones such as lutropin and thyrotropin. It catalyzes the transfer of sulfate to the 4th position of GalNAc residues in N-glycans and O-glycans, essential for the proper functioning of these hormones. Its activity is notably higher towards carbonic anhydrase VI than lutropin, showcasing its specificity and importance in biochemical pathways.
Therapeutic significance:
Understanding the role of Carbohydrate sulfotransferase 9 could open doors to potential therapeutic strategies. Its involvement in the sulfation process essential for hormone activity highlights its potential as a target for modulating hormone-related disorders.