Target
Lanosterol 14-alpha demethylase
Ligand
BDBM50004441
Substrate
n/a
Meas. Tech.
ChEBML_52075
IC50
1370±n/a nM
Citation
 Rotstein, DMKertesz, DJWalker, KASwinney, DC Stereoisomers of ketoconazole: preparation and biological activity. J Med Chem 35:2818-25 (1992) [PubMed]  Article 
Target
Name:
Lanosterol 14-alpha demethylase
Synonyms:
CP51A_RAT | CYPLI | Cyp51 | Cyp51a1 | Cytochrome P450 51 | Cytochrome P450 51A1 | LDM | Lanosterol 14-alpha demethylase | P450-14DM | P45014DM | P450LI | Sterol 14-alpha demethylase
Type:
PROTEIN
Mol. Mass.:
56717.47
Organism:
Rattus norvegicus
Description:
ChEMBL_52075
Residue:
503
Sequence:
MVLLGLLQSGGSVLGQAMEQVTGGNLLSTLLIACAFTLSLVYLFRLAVGHMVQLPAGAKSPPYIYSPIPFLGHAIAFGKSPIEFLENAYEKYGPVFSFTMVGKTFTYLLGSDAAALLFNSKNEDLNAEEVYGRLTTPVFGKGVAYDVPNAVFLEQKKILKSGLNIAHFKQYVSIIEKEAKEYFKSWGESGERNVFEALSELIILTASHCLHGKEIRSQLNEKVAQLYADLDGGFSHAAWLLPGWLPLPSFRRRDRAHREIKNIFYKAIQKRRLSKEPAEDILQTLLDSTYKDGRPLTDDEIAGMLIGLLLAGQHTSSTTSAWMGFFLARDKPLQDKCYLEQKTVCGEDLPPLTYEQLKDLNLLDRCIKETLRLRPPIMTMMRMAKTPQTVAGYTIPPGHQVCVSPTVNQRLKDSWVERLDFNPDRYLQDNPASGEKFAYVPFGAGRHRCIGENFAYVQIKTIWSTMLRLYEFDLINGYFPSVNYTTMIHTPENPVIRYKRRSK
  
Inhibitor
Name:
BDBM50004441
Synonyms:
(2R,4R)-ketoconazole | 1-acetyl-4-(4-{[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine | CHEMBL328863
Type:
Small organic molecule
Emp. Form.:
C26H28Cl2N4O4
Mol. Mass.:
531.431
SMILES:
CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Structure:
Search PDB for entries with ligand similarity: