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.
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.
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
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q96IY4
UPID:
CBPB2_HUMAN
Alternative names:
Carboxypeptidase U; Plasma carboxypeptidase B; Thrombin-activable fibrinolysis inhibitor
Alternative UPACC:
Q96IY4; A8K464; Q15114; Q5T9K1; Q5T9K2; Q9P2Y6
Background:
Carboxypeptidase B2, known alternatively as Carboxypeptidase U, Plasma carboxypeptidase B, and Thrombin-activable fibrinolysis inhibitor, plays a crucial role in the regulation of biological activities by cleaving C-terminal arginine or lysine residues from active peptides. It is instrumental in modulating the activities of kinins and anaphylatoxins in the circulation, and it significantly impacts fibrinolysis by removing C-terminal lysine residues from partially degraded fibrin.
Therapeutic significance:
Understanding the role of Carboxypeptidase B2 could open doors to potential therapeutic strategies.