Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q00536
UPID:
CDK16_HUMAN
Alternative names:
Cell division protein kinase 16; PCTAIRE-motif protein kinase 1; Serine/threonine-protein kinase PCTAIRE-1
Alternative UPACC:
Q00536; A8K280; B7Z7C8; J3KN74; J3KQP7
Background:
Cyclin-dependent kinase 16 (CDK16), also known as Cell division protein kinase 16, PCTAIRE-motif protein kinase 1, and Serine/threonine-protein kinase PCTAIRE-1, plays a pivotal role in various cellular processes. It is involved in vesicle-mediated transport, exocytosis, spermatogenesis, neuron differentiation, dendrite development, and insulin secretion regulation in response to blood glucose levels. CDK16's ability to phosphorylate NSF and CCNY highlights its significance in cellular signaling pathways.
Therapeutic significance:
Understanding the role of Cyclin-dependent kinase 16 could open doors to potential therapeutic strategies.