Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
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 stands out due to several important features:
partner
Reaxense
upacc
C9JR72
UPID:
KBTBD_HUMAN
Alternative names:
-
Alternative UPACC:
C9JR72
Background:
Kelch repeat and BTB domain-containing protein 13 plays a pivotal role as a substrate-specific adapter within a BCR (BTB-CUL3-RBX1) E3 ubiquitin ligase complex. This protein's structure and function are crucial for the regulation of protein ubiquitination, impacting protein stability and cell signaling pathways.
Therapeutic significance:
Linked to Nemaline myopathy 6, a condition characterized by muscle weakness and exercise intolerance, this protein's genetic variants offer a direct pathway to understanding disease mechanisms. Targeting its pathway could lead to innovative treatments for muscle-related disorders.