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.
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.
We employ our advanced, specialised process to create targeted 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
P54760
UPID:
EPHB4_HUMAN
Alternative names:
Hepatoma transmembrane kinase; Tyrosine-protein kinase TYRO11
Alternative UPACC:
P54760; B5A970; B5A971; B5A972; Q7Z635; Q9BTA5; Q9BXP0
Background:
Ephrin type-B receptor 4, also known as Hepatoma transmembrane kinase or Tyrosine-protein kinase TYRO11, is a receptor tyrosine kinase binding ephrin-B ligands. It plays a pivotal role in cell adhesion, migration, heart morphogenesis, angiogenesis, and blood vessel remodeling. Its interaction with EFNB2 is crucial for forward signaling, influencing cellular repulsion and segregation.
Therapeutic significance:
Ephrin type-B receptor 4's involvement in Lymphatic malformation 7 and Capillary malformation-arteriovenous malformation 2, diseases affecting the lymphatic system and vascular malformations, respectively, highlights its potential as a therapeutic target. Understanding its role could lead to novel treatments for these conditions.