Focused On-demand Library for Calcium/calmodulin-dependent protein kinase type II subunit gamma

Focused On-demand Libraries - Reaxense Collaboration

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

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.