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.
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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
A6NDG6
UPID:
PGP_HUMAN
Alternative names:
Aspartate-based ubiquitous Mg(2+)-dependent phosphatase; Phosphoglycolate phosphatase
Alternative UPACC:
A6NDG6
Background:
Glycerol-3-phosphate phosphatase plays a pivotal role in metabolic processes, hydrolyzing glycerol-3-phosphate into glycerol, thus regulating glucose, lipid, and energy metabolism. Known alternatively as Aspartate-based ubiquitous Mg(2+)-dependent phosphatase and Phosphoglycolate phosphatase, it exhibits diverse enzymatic activities, including 2-phosphoglycolate phosphatase and tyrosine-protein phosphatase activities, alongside phosphatase activity towards ADP, ATP, GDP, and GTP.
Therapeutic significance:
Understanding the role of Glycerol-3-phosphate phosphatase could open doors to potential therapeutic strategies, offering insights into metabolic regulation and energy homeostasis.