Focused On-demand Library for Calcium and integrin-binding protein 1

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 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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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:

Calcium- and integrin-binding protein; Calmyrin; DNA-PKcs-interacting protein; Kinase-interacting protein; SNK-interacting protein 2-28

Alternative UPACC:

Q99828; B5BU40; H6WJF3; O00693; O00735; Q6IB49; Q96J54; Q99971


Calcium and integrin-binding protein 1, known by alternative names such as Calmyrin and DNA-PKcs-interacting protein, plays a pivotal role in cellular processes including cell differentiation, proliferation, and apoptosis. It is crucial in bone marrow megakaryocyte differentiation, integrin signaling, and negatively regulates thrombopoietin-mediated signaling pathways. This protein is also involved in focal adhesion formation, cell migration on fibronectin, and acts as a negative regulator of stress-activated MAP kinase signaling pathways.

Therapeutic significance:

Given its involvement in Epidermodysplasia verruciformis 3, a condition leading to a high risk of skin carcinoma, understanding the role of Calcium and integrin-binding protein 1 could open doors to potential therapeutic strategies. Its regulatory role in angiogenesis and tumor growth, through mediating PKD/PRKD2-induced vascular endothelial growth factor A secretion, underscores its potential as a target in cancer therapy.

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