Focused On-demand Library for ATP-sensitive inward rectifier potassium channel 8

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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.

Our top-notch dedicated system is used to design specialised libraries for ion channels.

 Fig. 1. The sreening workflow of Receptor.AI

The method involves in-depth molecular simulations of the ion channel in its native membrane environment, including its open, closed, and inactivated states, along with ensemble virtual screening that focuses on conformational mobility for each state. Tentative binding pockets are identified inside the pore, in the gating area, and at allosteric sites to address every conceivable mechanism of action.

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.







Alternative names:

Inward rectifier K(+) channel Kir6.1; Potassium channel, inwardly rectifying subfamily J member 8; uKATP-1

Alternative UPACC:

Q15842; O00657


ATP-sensitive inward rectifier potassium channel 8, also known as Kir6.1, plays a pivotal role in cellular electrophysiology. This potassium channel, regulated by G proteins and inward rectification, is crucial for maintaining potassium ion flow, influenced by external potassium levels and internal magnesium blockage. Its alternative names include Inward rectifier K(+) channel Kir6.1 and uKATP-1.

Therapeutic significance:

Kir6.1's involvement in Sudden Infant Death Syndrome (SIDS) and Hypertrichotic osteochondrodysplasia highlights its potential as a therapeutic target. Understanding Kir6.1's role could lead to novel treatments for these conditions, emphasizing the importance of research in uncovering the mechanisms behind its involvement in such diseases.

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