Focused On-demand Library for ATP-sensitive inward rectifier potassium channel 11

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We use our state-of-the-art dedicated workflow for designing focused libraries for ion channels.

 Fig. 1. The sreening workflow of Receptor.AI

It features detailed molecular simulations of the ion channel in its native membrane environment across its open, closed, and inactivated forms, coupled with ensemble virtual screening considering conformational mobility in these states. Potential binding sites are explored within the pore, in the gating region, and at allosteric locations to encompass all potential mechanisms of action.

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.







Alternative names:

IKATP; Inward rectifier K(+) channel Kir6.2; Potassium channel, inwardly rectifying subfamily J member 11

Alternative UPACC:

Q14654; B4DWI4; E9PNK0; Q2M1H7; Q58EX3; Q8IW96


ATP-sensitive inward rectifier potassium channel 11 (KCNJ11), also known as Kir6.2, plays a pivotal role in cellular physiology by regulating potassium flow. This receptor, controlled by G proteins, allows potassium to flow into cells, a process essential for maintaining the cell's electrical stability. KCNJ11 partners with ABCC9 to form ATP-sensitive potassium channels (KATP), crucial in cardiac and smooth muscle functions.

Therapeutic significance:

KCNJ11's malfunction is linked to several metabolic disorders, including Hyperinsulinemic hypoglycemia, familial, 2 (HHF2), and various forms of diabetes mellitus. These conditions underscore the protein's critical role in glucose homeostasis and insulin regulation. Understanding KCNJ11's function and its genetic variants offers a pathway to targeted treatments for these metabolic diseases.

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