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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
O43745
UPID:
CHP2_HUMAN
Alternative names:
Hepatocellular carcinoma-associated antigen 520
Alternative UPACC:
O43745; A8K2I8
Background:
Calcineurin B homologous protein 2, also known as Hepatocellular carcinoma-associated antigen 520, plays a crucial role in cell pH regulation by activating SLC9A1/NHE1, enhancing cell survival under serum deprivation. It boosts cell proliferation and tumor growth by increasing PPP3CA phosphatase activity in a calcium-dependent manner and is a key activator of the calcineurin/NFAT signaling pathway, facilitating NFATC3's nuclear translocation.
Therapeutic significance:
Understanding the role of Calcineurin B homologous protein 2 could open doors to potential therapeutic strategies.