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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
We use our state-of-the-art dedicated workflow for designing focused 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q96BZ9
UPID:
TBC20_HUMAN
Alternative names:
-
Alternative UPACC:
Q96BZ9; A8K6I3; B9A6M1; Q5JWQ7; Q6ZSY8; Q96NE1; Q9BYM7; Q9H140
Background:
TBC1 domain family member 20, a pivotal protein, acts as a GTPase-activating agent for Rab1 and Rab2 small GTPase families, enhancing their intrinsic GTP hydrolysis rate significantly. This protein plays a crucial role in maintaining the endoplasmic reticulum structure, essential for cellular function and survival.
Therapeutic significance:
Linked to Warburg micro syndrome 4, characterized by severe intellectual disability, microcephaly, and other developmental anomalies, TBC1 domain family member 20's study offers a pathway to understanding and potentially treating this rare syndrome.