Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
O75061
UPID:
AUXI_HUMAN
Alternative names:
DnaJ homolog subfamily C member 6
Alternative UPACC:
O75061; B7Z3V8; D3DQ65; D3DQ66; Q32M66; Q4G0K1; Q5T614; Q5T615
Background:
The Putative tyrosine-protein phosphatase auxilin, also known as DnaJ homolog subfamily C member 6, plays a pivotal role in neuronal clathrin-mediated endocytosis. It recruits HSPA8/HSC70 to clathrin-coated vesicles, facilitating the uncoating process essential for synaptic function.
Therapeutic significance:
Linked to juvenile and early-onset forms of Parkinson disease, understanding the function of this protein could pave the way for novel therapeutic approaches targeting neurodegenerative disorders.