Focused On-demand Library for Protein 4.1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

 Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

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:

4.1R; Band 4.1; EPB4.1; Erythrocyte membrane protein band 4.1

Alternative UPACC:

P11171; B1ALH8; B1ALH9; D3DPM9; D3DPN0; P11176; Q14245; Q5TB35; Q5VXN8; Q8IXV9; Q9Y578; Q9Y579


Protein 4.1, also known as 4.1R, Band 4.1, EPB4.1, and Erythrocyte membrane protein band 4.1, is a pivotal structural component of the erythrocyte membrane skeleton. It ensures mechanical stability and deformability of red blood cells by stabilizing spectrin-actin interaction, essential for maintaining cell shape and flexibility. Protein 4.1's role extends beyond structural support, as it is involved in recruiting DLG1 to membranes and is crucial for the dynein-dynactin complex and NUMA1 recruitment during anaphase.

Therapeutic significance:

Elliptocytosis 1, a form of hereditary elliptocytosis linked to mutations in the gene encoding Protein 4.1, highlights the protein's clinical relevance. This condition, characterized by hemolytic anemia and abnormal red cell shapes, underscores the therapeutic potential of targeting Protein 4.1 in blood disorders.

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