Focused On-demand Library for Phospholemman

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 employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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:

FXYD domain-containing ion transport regulator 1; Sodium/potassium-transporting ATPase subunit FXYD1

Alternative UPACC:

O00168; A8K196


Phospholemman, also known as FXYD domain-containing ion transport regulator 1 or Sodium/potassium-transporting ATPase subunit FXYD1, plays a crucial role in regulating the sodium/potassium-transporting ATPase (NKA). This protein modulates NKA activity, pivotal for maintaining cellular ion balance by transporting Na(+) out and K(+) into the cell. Its activity is influenced by phosphorylation states, with phosphorylation stimulating NKA activity. Additionally, Phospholemman contributes to reversing glutathionylation-mediated inhibition of the NKA beta-1 subunit ATP1B1, and is essential for female sexual development by ensuring the excitability of neurons secreting gonadotropin-releasing hormone.

Therapeutic significance:

Understanding the role of Phospholemman could open doors to potential therapeutic strategies.

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