Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for receptors.
Fig. 1. The sreening workflow of Receptor.AI
This includes comprehensive molecular simulations of the receptor in its native membrane environment, paired with ensemble virtual screening that factors in its conformational mobility. In cases involving dimeric or oligomeric receptors, the entire functional complex is modelled, pinpointing potential binding pockets on and between the subunits to capture the full range of mechanisms of action.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P25942
UPID:
TNR5_HUMAN
Alternative names:
B-cell surface antigen CD40; Bp50; CD40L receptor; CDw40
Alternative UPACC:
P25942; E1P5S9; Q53GN5; Q5JY15; Q5U007; Q7M4Q8; Q86YK5; Q9BYU0
Background:
Tumor necrosis factor receptor superfamily member 5, also known as CD40, plays a pivotal role in immune system regulation. It acts as a receptor for TNFSF5/CD40LG, crucial for activating ERK in macrophages and B cells, which is essential for immunoglobulin secretion.
Therapeutic significance:
CD40's involvement in Immunodeficiency with hyper-IgM 3, a condition characterized by a profound susceptibility to bacterial infections due to abnormal immunoglobulin levels, highlights its potential as a target for therapeutic intervention.