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.
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.
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.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q29980
UPID:
MICB_HUMAN
Alternative names:
-
Alternative UPACC:
Q29980; A2AC57; A6NP85; B0UZ10; B2RAK2; O14499; O14500; O19798; O19799; O19800; O19801; O19802; O19803; O78099; O78100; O78101; O78102; O78103; O78104; P79525; P79541; Q5GR31; Q5GR37; Q5GR41; Q5GR42; Q5GR43; Q5GR44; Q5GR46; Q5GR48; Q5RIY6; Q5SSK1; Q5ST25; Q7JK51; Q7YQ89; Q861E6; Q9MY18; Q9MY19; Q9MY20; Q9UBH4; Q9UBZ8; Q9UEJ0; X6R344
Background:
MHC class I polypeptide-related sequence B plays a pivotal role in immune response regulation. It does not participate in antigen presentation but acts as a stress-induced self-antigen recognized by gamma delta T cells. It serves as a ligand for the KLRK1/NKG2D receptor, triggering cell lysis upon binding.
Therapeutic significance:
The protein's involvement in rheumatoid arthritis, an autoimmune disease affecting the joints, highlights its potential as a therapeutic target. Disease susceptibility is linked to genetic variants, including the MICB*004 allele, suggesting that modulating its activity could offer new treatment avenues.