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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9UH77
UPID:
KLHL3_HUMAN
Alternative names:
-
Alternative UPACC:
Q9UH77; B2RBK7; Q9UH75; Q9UH76; Q9ULU0; Q9Y6V6
Background:
Kelch-like protein 3 functions as a substrate-specific adapter of a BCR (BTB-CUL3-RBX1) E3 ubiquitin ligase complex, crucial for ion transport regulation in the kidney's distal nephron. It mediates the ubiquitination and degradation of WNK kinases and CLDN8, influencing NaCl reabsorption and chloride transport.
Therapeutic significance:
Kelch-like protein 3's role in ion transport and blood pressure regulation links it to Pseudohypoaldosteronism 2D, a disorder with severe hypertension and electrolyte imbalances. Targeting this protein could lead to novel treatments for this and related electrolyte disorders.