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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct 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 distinguishes itself through several key aspects:
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.