Focused On-demand Library for GTP:AMP phosphotransferase AK3, mitochondrial

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

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:

Adenylate kinase 3; Adenylate kinase 3 alpha-like 1

Alternative UPACC:

Q9UIJ7; B4DP58; D3DRI1; E7ET30; Q5VYW6; Q9H576; Q9HC01; Q9NPB4


GTP:AMP phosphotransferase AK3, mitochondrial, also known as Adenylate kinase 3 and Adenylate kinase 3 alpha-like 1, plays a crucial role in cellular nucleotide homeostasis. It facilitates the interconversion of nucleoside phosphates, showcasing GTP:AMP phosphotransferase and ITP:AMP phosphotransferase activities, essential for maintaining cellular energy balance.

Therapeutic significance:

Understanding the role of GTP:AMP phosphotransferase AK3, mitochondrial could open doors to potential therapeutic strategies. Its pivotal function in nucleotide metabolism positions it as a key target for interventions in metabolic disorders.

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