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.
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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct 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 stands out due to several important features:
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.