Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9BUY7
UPID:
EFC11_HUMAN
Alternative names:
-
Alternative UPACC:
Q9BUY7; B3KT10; B7Z5G9; G3V5G1; Q86T09; Q86TV7; Q8NDQ1
Background:
EF-hand calcium-binding domain-containing protein 11 plays a crucial role in calcium signaling, a vital process for cellular function and communication. Its unique structure allows it to interact with calcium ions, influencing various cellular activities.
Therapeutic significance:
Understanding the role of EF-hand calcium-binding domain-containing protein 11 could open doors to potential therapeutic strategies. Its involvement in calcium signaling pathways offers a promising avenue for drug discovery, targeting diseases where calcium homeostasis is disrupted.