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 extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages 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.