Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9P000
UPID:
COMD9_HUMAN
Alternative names:
-
Alternative UPACC:
Q9P000; E9PAN2; Q96FI2; Q9H0R0
Background:
COMM domain-containing protein 9 plays a pivotal role in cellular processes through its ability to modulate the activity of cullin-RING E3 ubiquitin ligase complexes, regulate NF-kappa-B activation, and influence Na(+) transport in epithelial cells by adjusting the apical cell surface expression of ENaC subunits. Its multifaceted role in biological systems makes it an intriguing subject for scientific inquiry.
Therapeutic significance:
Understanding the role of COMM domain-containing protein 9 could open doors to potential therapeutic strategies.