Focused On-demand Library for Serine/threonine-protein kinase TNNI3K

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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 top-notch dedicated system is used to design specialised 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 is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.







Alternative names:

Cardiac ankyrin repeat kinase; Cardiac troponin I-interacting kinase; TNNI3-interacting kinase

Alternative UPACC:

Q59H18; Q17RN0; Q49AR1; Q6MZS9; Q9Y2V6


Serine/threonine-protein kinase TNNI3K, also known as Cardiac ankyrin repeat kinase, Cardiac troponin I-interacting kinase, and TNNI3-interacting kinase, plays a pivotal role in cardiac physiology. Its unique structure, characterized by the presence of ankyrin repeats, positions it as a crucial mediator in cardiac muscle function.

Therapeutic significance:

The protein is directly implicated in Cardiac conduction disease with or without dilated cardiomyopathy, a disorder marked by atrial tachyarrhythmia and conduction system disease. Understanding the role of Serine/threonine-protein kinase TNNI3K could open doors to potential therapeutic strategies for managing this cardiac disorder.

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