Focused On-demand Library for Cell adhesion molecule 3

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 utilise our cutting-edge, exclusive workflow to develop 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 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.

partner

Reaxense

upacc

Q8N126

UPID:

CADM3_HUMAN

Alternative names:

Brain immunoglobulin receptor; Immunoglobulin superfamily member 4B; Nectin-like protein 1; Synaptic cell adhesion molecule 3; TSLC1-like protein 1

Alternative UPACC:

Q8N126; Q8IZQ9; Q9NVJ5; Q9UJP1

Background:

Cell adhesion molecule 3, also known as Brain immunoglobulin receptor, Immunoglobulin superfamily member 4B, Nectin-like protein 1, Synaptic cell adhesion molecule 3, and TSLC1-like protein 1, plays a crucial role in cell-cell adhesion. It exhibits both calcium-independent homophilic and heterophilic cell-cell adhesion activities, interacting with various proteins such as IGSF4, NECTIN1, and NECTIN3. Its association with EPB41L1 suggests a regulatory function in cell junctions.

Therapeutic significance:

Linked to Charcot-Marie-Tooth disease, axonal, 2FF, a peripheral nervous system disorder characterized by muscle weakness and atrophy, Cell adhesion molecule 3's genetic variants highlight its therapeutic potential. Understanding its role could pave the way for innovative treatments for this and similar neuropathies.