Focused On-demand Library for Killer cell immunoglobulin-like receptor 3DL1

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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of 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

P43629

UPID:

KI3L1_HUMAN

Alternative names:

CD158 antigen-like family member E; HLA-BW4-specific inhibitory NK cell receptor; Natural killer-associated transcript 3; p70 natural killer cell receptor clones CL-2/CL-11

Alternative UPACC:

P43629; O43473; Q14946; Q16541

Background:

The Killer cell immunoglobulin-like receptor 3DL1 (KIR3DL1), also known as CD158 antigen-like family member E, plays a pivotal role in the immune system. It functions as a receptor on natural killer (NK) cells for the HLA Bw4 allele, inhibiting NK cell activity and preventing cell lysis. This receptor is crucial for the delicate balance of immune response, ensuring that NK cells only target and destroy cells that are a genuine threat.

Therapeutic significance:

Understanding the role of Killer cell immunoglobulin-like receptor 3DL1 could open doors to potential therapeutic strategies. By modulating its activity, it may be possible to enhance or suppress the immune response in various conditions, offering new avenues for the treatment of diseases where the immune system plays a critical role.