Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P0DP25
UPID:
CALM3_HUMAN
Alternative names:
-
Alternative UPACC:
P0DP25; P02593; P62158; P70667; P99014; Q13942; Q53S29; Q61379; Q61380; Q96HK3
Background:
Calmodulin-3 plays a pivotal role in calcium signal transduction, influencing the activity of numerous enzymes, ion channels, and proteins. Its activation through calcium-binding is essential for the stimulation of protein kinases and phosphatases, crucial for various cellular processes including the centrosome cycle and cytokinesis.
Therapeutic significance:
Calmodulin-3's involvement in Ventricular tachycardia, catecholaminergic polymorphic, 6, and Long QT syndrome 16, both heart disorders leading to severe outcomes, underscores its potential as a target for therapeutic intervention. Understanding its role could pave the way for innovative treatments.