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.
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.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
O95672
UPID:
ECEL1_HUMAN
Alternative names:
Xce protein
Alternative UPACC:
O95672; Q45UD9; Q53RF9; Q6UW86; Q86TH4; Q9NY95
Background:
Endothelin-converting enzyme-like 1 (ECEL1), also known as Xce protein, plays a crucial role in the degradation of peptide hormones and the inactivation of neuronal peptides. This protein's involvement in these processes highlights its importance in the regulation of various physiological functions.
Therapeutic significance:
ECEL1 mutations are linked to Arthrogryposis, distal, 5D, a condition characterized by congenital joint contractures and facial anomalies. Understanding the role of ECEL1 could open doors to potential therapeutic strategies for this and related disorders.