Focused On-demand Library for SH3 domain-containing kinase-binding protein 1

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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 use our state-of-the-art dedicated workflow for designing focused 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.

partner

Reaxense

upacc

Q96B97

UPID:

SH3K1_HUMAN

Alternative names:

CD2-binding protein 3; Cbl-interacting protein of 85 kDa; Human Src family kinase-binding protein 1

Alternative UPACC:

Q96B97; B7Z1D5; Q5JPT4; Q5JPT5; Q8IWX6; Q8IX98; Q96RN4; Q9NYR0

Background:

SH3 domain-containing kinase-binding protein 1, also known as CD2-binding protein 3, Cbl-interacting protein of 85 kDa, and Human Src family kinase-binding protein 1, plays a pivotal role in signal transduction pathways. It regulates endocytosis and lysosomal degradation of receptor tyrosine kinases, modulates tumor necrosis factor-mediated apoptosis, and is crucial in B cell activation. Its interaction with various proteins influences cell adhesion, stress response, cell morphology, and cytoskeletal organization.

Therapeutic significance:

Given its essential role in B cell activation and involvement in Immunodeficiency 61, a disorder characterized by recurrent infections and impaired antibody production, SH3 domain-containing kinase-binding protein 1 presents a promising target for therapeutic intervention. Understanding its function could lead to novel treatments for immunologic disorders.