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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening 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:
partner
Reaxense
upacc
Q10471
UPID:
GALT2_HUMAN
Alternative names:
Polypeptide GalNAc transferase 2; Protein-UDP acetylgalactosaminyltransferase 2; UDP-GalNAc:polypeptide N-acetylgalactosaminyltransferase 2
Alternative UPACC:
Q10471; A8K1Y3; B7Z8V8; C5HU00; Q9NPY4
Background:
Polypeptide N-acetylgalactosaminyltransferase 2, also known as Polypeptide GalNAc transferase 2, plays a pivotal role in O-linked oligosaccharide biosynthesis. It catalyzes the transfer of N-acetyl-D-galactosamine to serine or threonine residues on proteins, affecting a wide range of substrates and participating in crucial biological processes.
Therapeutic significance:
The enzyme's involvement in Congenital disorder of glycosylation 2T, characterized by developmental delays, intellectual disability, and other severe symptoms, underscores its therapeutic potential. Targeting this enzyme could lead to novel treatments for this disorder and related glycosylation abnormalities.