Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q96NT0
UPID:
CC115_HUMAN
Alternative names:
-
Alternative UPACC:
Q96NT0; B4DJ47; Q9BR88
Background:
Coiled-coil domain-containing protein 115 plays a pivotal role in intracellular processes, including iron homeostasis and endolysosomal acidification. It is an accessory component of the V-ATPase pump, crucial for cellular functions under aerobic conditions and lysosomal degradation.
Therapeutic significance:
Linked to Congenital disorder of glycosylation 2O, characterized by severe multisystem disorders, the study of Coiled-coil domain-containing protein 115 could unveil novel therapeutic avenues.