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.
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
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9Y2U9
UPID:
KLDC2_HUMAN
Alternative names:
Hepatocellular carcinoma-associated antigen 33; Host cell factor homolog LCP; Host cell factor-like protein 1
Alternative UPACC:
Q9Y2U9; B3KPF9; Q6IAF0; Q86TY9
Background:
Kelch domain-containing protein 2, also known as Hepatocellular carcinoma-associated antigen 33, plays a crucial role in the Cul2-RING E3 ubiquitin-protein ligase complex of the DesCEND pathway. It specifically targets proteins with a diglycine motif at the C-terminus for ubiquitination and degradation. This includes full-length proteins, truncated forms, or proteolytically cleaved variants, such as truncated SELENOK and SELENOS selenoproteins, and the N-terminal fragment of USP1.
Therapeutic significance:
Understanding the role of Kelch domain-containing protein 2 could open doors to potential therapeutic strategies.