Focused On-demand Library for Calcium/calmodulin-dependent protein kinase type 1G

Focused On-demand Libraries - Reaxense Collaboration

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q96NX5

UPID:

KCC1G_HUMAN

Alternative names:

CaM kinase I gamma; CaMK-like CREB kinase III

Alternative UPACC:

Q96NX5; Q86UH5; Q9Y3J7

Background:

Calcium/calmodulin-dependent protein kinase type 1G, also known as CaM kinase I gamma and CaMK-like CREB kinase III, plays a pivotal role in a proposed calcium-triggered signaling cascade. This kinase, identified by the accession number Q96NX5, is known to phosphorylate transcription factor CREB1 in vitro, suggesting its involvement in the regulation of gene expression.

Therapeutic significance:

Understanding the role of Calcium/calmodulin-dependent protein kinase type 1G could open doors to potential therapeutic strategies. Its involvement in phosphorylating CREB1 highlights its significance in cellular signaling pathways, which could be targeted in various therapeutic contexts.