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.
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.
Our high-tech, dedicated method is applied to construct targeted 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.
Key features that set our library apart include:
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.