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.
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.
Our high-tech, dedicated method is applied to construct targeted 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q6ZT21
UPID:
TMPPE_HUMAN
Alternative names:
-
Alternative UPACC:
Q6ZT21; B2RNG5; Q6ZRG1
Background:
The Transmembrane protein with metallophosphoesterase domain, identified by the accession number Q6ZT21, plays a crucial role in cellular processes through its enzymatic activity. This protein's structure allows it to interact with metal ions, facilitating the hydrolysis of phosphoester bonds, a key step in various metabolic pathways.
Therapeutic significance:
Understanding the role of the Transmembrane protein with metallophosphoesterase domain could open doors to potential therapeutic strategies. Its involvement in critical cellular functions highlights its potential as a target for drug discovery, aiming to modulate its activity in disease contexts.