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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our top-notch dedicated system is used to design specialised 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8WYB5
UPID:
KAT6B_HUMAN
Alternative names:
Histone acetyltransferase MOZ2; MOZ, YBF2/SAS3, SAS2 and TIP60 protein 4; Monocytic leukemia zinc finger protein-related factor
Alternative UPACC:
Q8WYB5; O15087; Q86Y05; Q8WU81; Q9UKW2; Q9UKW3; Q9UKX0
Background:
Histone acetyltransferase KAT6B, also known as Histone acetyltransferase MOZ2, plays a pivotal role in transcription regulation, both activating and repressing gene expression. It is essential for RUNX2-dependent transcriptional activation and is implicated in cerebral cortex development as part of the MOZ/MORF complex with histone H3 acetyltransferase activity.
Therapeutic significance:
KAT6B mutations are linked to Ohdo syndrome, SBBYS variant, and Genitopatellar syndrome, involving severe developmental and skeletal abnormalities. Understanding KAT6B's role could lead to targeted therapies for these conditions.