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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create 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 stands out due to several important features:
partner
Reaxense
upacc
Q16825
UPID:
PTN21_HUMAN
Alternative names:
Protein-tyrosine phosphatase D1
Alternative UPACC:
Q16825
Background:
Tyrosine-protein phosphatase non-receptor type 21, also known as Protein-tyrosine phosphatase D1, plays a crucial role in cellular signaling pathways. This protein, encoded by the gene with the accession number Q16825, is involved in the dephosphorylation of tyrosine residues, a key process in signal transduction and cellular communication.
Therapeutic significance:
Understanding the role of Tyrosine-protein phosphatase non-receptor type 21 could open doors to potential therapeutic strategies. Its involvement in critical signaling pathways suggests its potential as a target in designing novel treatments.