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.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q8N511
UPID:
TM199_HUMAN
Alternative names:
-
Alternative UPACC:
Q8N511
Background:
Transmembrane protein 199 plays a pivotal role in intracellular processes, including iron homeostasis and endolysosomal acidification. It acts as an accessory component of the V-ATPase pump, crucial for cellular iron regulation and lysosomal degradation. Its involvement in Golgi homeostasis underscores its importance in cellular physiology.
Therapeutic significance:
Linked to Congenital disorder of glycosylation 2P, Transmembrane protein 199's dysfunction affects liver metabolism and glycoprotein biosynthesis. Understanding its role could unveil new therapeutic strategies for treating metabolic dysfunctions and improving glycoprotein biosynthesis in related disorders.