Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our high-tech, dedicated method is applied to construct 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P23276
UPID:
KELL_HUMAN
Alternative names:
-
Alternative UPACC:
P23276; B2RBV4; Q96RS8; Q99885
Background:
The Kell blood group glycoprotein, identified by the UPACC code P23276, is a zinc endopeptidase known for its endothelin-3-converting enzyme activity. It specifically cleaves EDN1, EDN2, and EDN3, showcasing a marked preference for EDN3. This protein plays a pivotal role in the processing of endothelins, peptides that are critical for vascular function.
Therapeutic significance:
Understanding the role of Kell blood group glycoprotein could open doors to potential therapeutic strategies. Its unique enzymatic activity in cleaving endothelins, especially EDN3, positions it as a key player in vascular biology and a potential target for therapeutic intervention in vascular disorders.