Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9C0K7
UPID:
STRAB_HUMAN
Alternative names:
Amyotrophic lateral sclerosis 2 chromosomal region candidate gene 2 protein; CALS-21; ILP-interacting protein; Pseudokinase ALS2CR2
Alternative UPACC:
Q9C0K7; Q5BKY7; Q9P1L0
Background:
The STE20-related kinase adapter protein beta, known by alternative names such as Amyotrophic lateral sclerosis 2 chromosomal region candidate gene 2 protein and Pseudokinase ALS2CR2, plays a pivotal role in cellular signaling. It functions as a pseudokinase, forming a complex with CAB39/MO25 to activate STK11/LKB1, thereby adopting an active kinase conformation and promoting cellular responses.
Therapeutic significance:
Understanding the role of STE20-related kinase adapter protein beta could open doors to potential therapeutic strategies. Its unique mechanism of action as a pseudokinase and its involvement in activating STK11/LKB1 highlight its potential as a target in drug discovery efforts.