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 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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9UKJ8
UPID:
ADA21_HUMAN
Alternative names:
-
Alternative UPACC:
Q9UKJ8; O43507; Q2VPC6; Q32MR0
Background:
Disintegrin and metalloproteinase domain-containing protein 21 plays a crucial role in reproductive biology, potentially influencing sperm maturation and fertilization. Its involvement extends to epithelial functions, crucial for maintaining ion or nutrient gradients essential for cellular health.
Therapeutic significance:
Understanding the role of Disintegrin and metalloproteinase domain-containing protein 21 could open doors to potential therapeutic strategies.