CYP Inhibitors Library

Cytochromes 450 (CYPs) are the principal enzymes responsible for the oxidation of the wide and complex array of drugs and foreign chemicals to which the body is exposed. The cytochrome family members can be characterized by common site structure with rigid conformation due to the presence of a heme group.

Despite the specific nature of known highly active cytochrome inhibitors (predominantly hormones), we designed the CYP Inhibitors Library of compounds, which are capable to fit the binding site and form donor/acceptor bonds.

The Library has been designed by a 2D fingerprint similarity search approach. The similarity search was performed against a reference set of compounds obtained from ChEMBL database with Tanomoto index cut-off set to 0.85.

Resulting 700 off-the-shelf compounds have formed the Life Chemicals CYP Inhibitors Library. The list of target enzymes is shown below:

  • Cytochrome P450 1A2
  • Cytochrome P450 1A1
  • Cytochrome P450 3A4
  • Cytochrome P450 2D6
  • Cytochrome P450 19A1
  • Cytochrome P450 11B1
  • Cytochrome P450 2C9
  • Cytochrome P450 2B6
  • Cytochrome P450 2A6
  • Cytochrome P450 17A1
  • Cytochrome P450 2C19
  • Cytochrome P450 3A4/3A5
  • Cytochrome P450 51
  • Cytochrome P450 2C8
  • Cytochrome P450 11B2