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 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9H2K8
UPID:
TAOK3_HUMAN
Alternative names:
Cutaneous T-cell lymphoma-associated antigen HD-CL-09; Dendritic cell-derived protein kinase; JNK/SAPK-inhibitory kinase; Jun kinase-inhibitory kinase; Kinase from chicken homolog A; Thousand and one amino acid protein 3
Alternative UPACC:
Q9H2K8; Q658N1; Q8IUM4; Q9HC79; Q9NZM9; Q9UHG7
Background:
Serine/threonine-protein kinase TAO3, also known as Cutaneous T-cell lymphoma-associated antigen HD-CL-09 and several other names, plays a pivotal role in cellular stress response pathways. It regulates the p38/MAPK14 and MAPK8/JNK cascades, activating the former in response to DNA damage and inhibiting the basal activity of the latter. This kinase is crucial for the G2/M transition DNA damage checkpoint, mediating phosphorylation of upstream kinases MAP2K3 and MAP2K6.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase TAO3 could open doors to potential therapeutic strategies.