Focused On-demand Library for ATP-binding cassette sub-family C member 9

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.

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

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

O60706

UPID:

ABCC9_HUMAN

Alternative names:

Sulfonylurea receptor 2

Alternative UPACC:

O60706; O60707

Background:

ATP-binding cassette sub-family C member 9 (ABCC9), also known as Sulfonylurea receptor 2, plays a crucial role in forming ATP-sensitive potassium channels (KATP) in cardiac and smooth muscle. These channels are essential for regulating potassium flow, impacting heart function and muscle contraction.

Therapeutic significance:

ABCC9's involvement in diseases such as dilated cardiomyopathy, familial atrial fibrillation, hypertrichotic osteochondrodysplasia, and intellectual disability and myopathy syndrome highlights its potential as a therapeutic target. Understanding ABCC9's role could lead to novel treatments for these conditions.