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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9NRW1
UPID:
RAB6B_HUMAN
Alternative names:
-
Alternative UPACC:
Q9NRW1; B2R5Z9; B7Z337; D3DND3; Q92929
Background:
Ras-related protein Rab-6B plays a pivotal role in intracellular membrane trafficking, regulating the movement of vesicular carriers and maintaining organelle identity. It cycles between active and inactive states, influencing Golgi complex morphology and participating in retrograde transport, especially in neuronal cells.
Therapeutic significance:
Understanding the role of Ras-related protein Rab-6B could open doors to potential therapeutic strategies.