AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Integrin-linked protein kinase

Available from Reaxense
Predicted by Alphafold

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 high-tech, dedicated method is applied to construct targeted 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.

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

Q13418

UPID:

ILK_HUMAN

Alternative names:

59 kDa serine/threonine-protein kinase; Beta-integrin-linked kinase; ILK-1; ILK-2; p59ILK

Alternative UPACC:

Q13418; B7Z1I0; B7Z418; D3DQU0; P57043; Q68DZ3

Background:

Integrin-linked protein kinase (ILK) is a pivotal mediator in integrin-mediated signal transduction, influencing cell architecture, adhesion, and growth in epithelial cells. As a receptor-proximal protein kinase, ILK regulates integrin signaling, impacting cell motility through its interaction with PARVB. It phosphorylates beta-1 and beta-3 integrin subunits, AKT1, and GSK3B, playing a critical role in the ILK-PINCH complex, a key node in integrin and growth factor signaling pathways.

Therapeutic significance:

Understanding the role of Integrin-linked protein kinase could open doors to potential therapeutic strategies.

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