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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q12918
UPID:
KLRB1_HUMAN
Alternative names:
C-type lectin domain family 5 member B; HNKR-P1a; Natural killer cell surface protein P1A
Alternative UPACC:
Q12918; Q24K24
Background:
Killer cell lectin-like receptor subfamily B member 1, also known as C-type lectin domain family 5 member B, HNKR-P1a, and Natural killer cell surface protein P1A, plays a crucial role in the immune system. It inhibits natural killer (NK) cells' cytotoxicity, stimulates specific acid sphingomyelinase/SMPD1, AKT1/PKB, and RPS6KA1/RSK1 kinases, and enhances T-cell proliferation. This protein also functions as a lectin, binding to specific carbohydrate epitopes and inhibiting NK cell-mediated cytotoxicity and interferon-gamma secretion.
Therapeutic significance:
Understanding the role of Killer cell lectin-like receptor subfamily B member 1 could open doors to potential therapeutic strategies.