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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 use our state-of-the-art dedicated workflow for designing focused 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
Q13555
UPID:
KCC2G_HUMAN
Alternative names:
-
Alternative UPACC:
Q13555; A0A0A0MS52; A0A0A0MT11; O00561; O15378; Q13279; Q13282; Q13556; Q5SQZ3; Q5SQZ4; Q5SWX4; Q7KYX5; Q8N4I3; Q8NIA4
Background:
Calcium/calmodulin-dependent protein kinase type II subunit gamma plays a pivotal role in calcium signaling, involved in various cellular processes such as muscle contraction and neuronal plasticity. It regulates sarcoplasmic reticulum Ca(2+) transport in skeletal muscle, dendritic spine and synapse formation, and participates in the JAK-STAT signaling pathway.
Therapeutic significance:
Linked to Intellectual developmental disorder, autosomal dominant 59, this protein's understanding could pave the way for innovative treatments targeting neurological disorders.