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.
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 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 stands out due to several important features:
partner
Reaxense
upacc
Q92504
UPID:
S39A7_HUMAN
Alternative names:
Histidine-rich membrane protein Ke4; Really interesting new gene 5 protein; Solute carrier family 39 member 7; Zrt-, Irt-like protein 7
Alternative UPACC:
Q92504; B0UXF6; Q5STP8; Q9UIQ0
Background:
Zinc transporter SLC39A7, known as Histidine-rich membrane protein Ke4 and Really interesting new gene 5 protein, plays a pivotal role in zinc homeostasis. It transports Zn(2+) from the endoplasmic reticulum and Golgi apparatus to the cytosol, crucial for cell growth, proliferation, and various cellular functions including B cell development and glucose metabolism in skeletal muscle.
Therapeutic significance:
Linked to Agammaglobulinemia 9, an autosomal recessive condition characterized by low serum antibodies and B-cells, understanding the role of Zinc transporter SLC39A7 could open doors to potential therapeutic strategies.