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.
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
P41273
UPID:
TNFL9_HUMAN
Alternative names:
4-1BB ligand
Alternative UPACC:
P41273; Q2M3S2
Background:
Tumor necrosis factor ligand superfamily member 9, also known as 4-1BB ligand, plays a crucial role in the immune system. It binds to TNFRSF9, inducing the proliferation of activated peripheral blood T-cells. This protein is involved in activation-induced cell death (AICD) and may facilitate cognate interactions between T-cells and B-cells/macrophages.
Therapeutic significance:
Understanding the role of Tumor necrosis factor ligand superfamily member 9 could open doors to potential therapeutic strategies.