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 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 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q93034
UPID:
CUL5_HUMAN
Alternative names:
Vasopressin-activated calcium-mobilizing receptor 1
Alternative UPACC:
Q93034; A8K960; O14766; Q9BZC6
Background:
Cullin-5, a core component of multiple SCF-like ECS (Elongin-Cullin 2/5-SOCS-box protein) E3 ubiquitin-protein ligase complexes, plays a pivotal role in the ubiquitination and subsequent proteasomal degradation of target proteins. It functions as a scaffold protein, enhancing catalysis by positioning the substrate and the ubiquitin-conjugating enzyme. Its specificity is determined by the variable substrate recognition component, directing ubiquitination of targets like JAK2 and participating in the DesCEND pathway for the degradation of truncated SELENOS selenoprotein.
Therapeutic significance:
Understanding the role of Cullin-5 could open doors to potential therapeutic strategies.