Reaction Details  Report a problem with these data
Target
Lanosterol 14-alpha demethylase
Ligand
BDBM50593137
Substrate
n/a
Meas. Tech.
ChEMBL_2207270 (CHEMBL5119978)
IC50
80±n/a nM
Citation
 Liu, W; Liu, Y; Fan, H; Liu, M; Han, J; An, Y; Dong, Y; Sun, B Design, Synthesis, and Biological Evaluation of Dual-Target COX-2/CYP51 Inhibitors for the Treatment of Fungal Infectious Diseases. J Med Chem 65:12219-12239 (2022) [PubMed]  Article
Target
Name:
Lanosterol 14-alpha demethylase
Synonyms:
1.14.14.154 | CP51_CANAL | CYP51 | CYPLI | Cytochrome P450 51 | Cytochrome P450-14DM | Cytochrome P450-LIA1 | ERG11 | ERG16 | ERG16 | Lanosterol 14-alpha demethylase | Sterol 14-alpha demethylase
Type:
PROTEIN
Mol. Mass.:
60679.24
Organism:
Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)
Description:
ChEMBL_58
Residue:
528
Sequence:
MAIVETVIDGINYFLSLSVTQQISILLGVPFVYNLVWQYLYSLRKDRAPLVFYWIPWFGSAASYGQQPYEFFESCRQKYGDVFSFMLLGKIMTVYLGPKGHEFVFNAKLSDVSAEDAYKHLTTPVFGKGVIYDCPNSRLMEQKKFAKFALTTDSFKRYVPKIREEILNYFVTDESFKLKEKTHGVANVMKTQPEITIFTASRSLFGDEMRRIFDRSFAQLYSDLDKGFTPINFVFPNLPLPHYWRRDAAQKKISATYMKEIKSRRERGDIDPNRDLIDSLLIHSTYKDGVKMTDQEIANLLIGILMGGQHTSASTSAWFLLHLGEKPHLQDVIYQEVVELLKEKGGDLNDLTYEDLQKLPSVNNTIKETLRMHMPLHSIFRKVTNPLRIPETNYIVPKGHYVLVSPGYAHTSERYFDNPEDFDPTRWDTAAAKANSVSFNSSDEVDYGFGKVSKGVSSPYLPFGGGRHRCIGEQFAYVQLGTILTTFVYNLRWTIDGYKVPDPDYSSMVVLPTEPAEIIWEKRETCMF
  
Inhibitor
Name:
BDBM50593137
Synonyms:
CHEMBL5187700
Type:
Small organic molecule
Emp. Form.:
C25H24N4O3
Mol. Mass.:
428.4831
SMILES:
COc1ccc2cc(ccc2c1)[C@H](C)C(=O)NC(Cn1cncn1)C(=O)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: