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

Focused On-demand Libraries - Receptor.AI Collaboration


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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening 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:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q13555

UPID:
KCC2G_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q13555; A0A0A0MS52; A0A0A0MT11; O00561; O15378; Q13279; Q13282; Q13556; Q5SQZ3; Q5SQZ4; Q5SWX4; Q7KYX5; Q8N4I3; Q8NIA4

BACKGROUND:
This protein is essential for calcium/calmodulin-mediated signaling, affecting skeletal muscle function, neuronal development, and synaptic plasticity. It modulates sarcoplasmic reticulum Ca(2+) transport and is crucial for learning and memory through its role in synaptic maintenance and long-term potentiation.

THERAPEUTIC SIGNIFICANCE:
Given its association with Intellectual developmental disorder, autosomal dominant 59, exploring the functions of Calcium/calmodulin-dependent protein kinase type II subunit gamma could lead to breakthroughs in cognitive disorder therapies.

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