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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q96DX5
UPID:
ASB9_HUMAN
Alternative names:
-
Alternative UPACC:
Q96DX5; A8K8A5; Q9BVF5; Q9NWS5; Q9Y4T3
Background:
Ankyrin repeat and SOCS box protein 9 plays a crucial role in cellular processes as part of the SCF-like ECS E3 ubiquitin-protein ligase complex. It specifically targets creatine kinase forms, CKB and CKMT1A, for ubiquitination and proteasomal degradation, maintaining cellular protein homeostasis.
Therapeutic significance:
Understanding the role of Ankyrin repeat and SOCS box protein 9 could open doors to potential therapeutic strategies.