Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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.
Our high-tech, dedicated method is applied to construct targeted 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q2Y0W8
UPID:
S4A8_HUMAN
Alternative names:
Electroneutral Na(+)-driven Cl-HCO3 exchanger; Solute carrier family 4 member 8; k-NBC3
Alternative UPACC:
Q2Y0W8; A0MMZ1; B4DHY0; E7EML0; F5GZ31; F5H7F5; O94843; O95233; Q004B4; Q8N3U2; Q8TC60; Q9UKX8
Background:
Electroneutral sodium bicarbonate exchanger 1, also known as Solute carrier family 4 member 8 or k-NBC3, plays a pivotal role in maintaining pH balance and electrolyte homeostasis. It mediates the electroneutral exchange of sodium and carbonate for chloride and bicarbonate, crucial for pH regulation in neurons and sodium reabsorption in renal cortical collecting ducts.
Therapeutic significance:
Understanding the role of Electroneutral sodium bicarbonate exchanger 1 could open doors to potential therapeutic strategies.