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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 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
Q6MZZ7
UPID:
CAN13_HUMAN
Alternative names:
Calcium-activated neutral proteinase 13
Alternative UPACC:
Q6MZZ7; Q17RF0; Q580X1; Q8TE80
Background:
Calpain-13, known scientifically as Calcium-activated neutral proteinase 13, plays a crucial role as a probable non-lysosomal thiol-protease. This protein is part of the calpain family, which is involved in a myriad of cellular processes through the modulation of calcium signaling. Calpain-13's unique structure and activation mechanism distinguish it within the calpain family, making it a subject of interest for further research.
Therapeutic significance:
Understanding the role of Calpain-13 could open doors to potential therapeutic strategies. Its involvement in calcium signaling pathways suggests a pivotal role in cellular functions, which, if harnessed, could lead to innovative treatments for diseases where calcium regulation is disrupted.