Focused On-demand Library for 5'-AMP-activated protein kinase catalytic subunit alpha-2

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 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

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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:

Acetyl-CoA carboxylase kinase; Hydroxymethylglutaryl-CoA reductase kinase

Alternative UPACC:

P54646; Q9H1E8; Q9UD43


The 5'-AMP-activated protein kinase catalytic subunit alpha-2, also known as Acetyl-CoA carboxylase kinase and Hydroxymethylglutaryl-CoA reductase kinase, is a pivotal enzyme in cellular energy homeostasis. It activates energy-producing pathways while inhibiting energy-consuming processes in response to low ATP levels. This protein kinase phosphorylates various metabolic enzymes and transcription regulators, influencing lipid synthesis, glucose uptake, and cell growth.

Therapeutic significance:

Understanding the role of 5'-AMP-activated protein kinase catalytic subunit alpha-2 could open doors to potential therapeutic strategies. Its regulatory function in energy metabolism and cell proliferation makes it a promising target for addressing metabolic disorders and cancer.

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