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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our top-notch dedicated system is used to design specialised 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 stands out due to several important features:
partner
Reaxense
upacc
Q92729
UPID:
PTPRU_HUMAN
Alternative names:
Pancreatic carcinoma phosphatase 2; Protein-tyrosine phosphatase J; Protein-tyrosine phosphatase pi; Protein-tyrosine phosphatase receptor omicron; Receptor-type protein-tyrosine phosphatase psi
Alternative UPACC:
Q92729; A6H8L1; O00197; P78399; Q59HA4; Q5SYU4; Q5SYU5; Q92735; Q92850
Background:
Receptor-type tyrosine-protein phosphatase U, known by alternative names such as Pancreatic carcinoma phosphatase 2 and Protein-tyrosine phosphatase receptor omicron, plays a pivotal role in cellular processes. It dephosphorylates CTNNB1, influencing cell adhesion, signaling, proliferation, and migration. This protein is also crucial in maintaining epithelial integrity and may contribute to megakaryocytopoiesis.
Therapeutic significance:
Understanding the role of Receptor-type tyrosine-protein phosphatase U could open doors to potential therapeutic strategies.