Reaction Details Report a problem with these data
Target
Lanosterol 14-alpha demethylase
Ligand
BDBM50044425
Substrate
n/a
Meas. Tech.
ChEBML_218499
Ki
40.4±n/a nM
Citation
 Walker, KA; Kertesz, DJ; Rotstein, DM; Swinney, DC; Berry, PW; So, OY; Webb, AS; Watson, DM; Mak, AY; Burton, PM Selective inhibition of mammalian lanosterol 14 alpha-demethylase: a possible strategy for cholesterol lowering. J Med Chem 36:2235-7 (1993) [PubMed]  Article 
Target
Name:
Lanosterol 14-alpha demethylase
Synonyms:
CP51A_HUMAN | CYP51 | CYP51A1 | CYPLI | Cytochrome P450 51 | Cytochrome P450 51A1 | LDM | Lanosterol 14-alpha demethylase | P450-14DM | P45014DM | P450LI | Sterol 14α-demethylase (CYP51) | Sterol 14-alpha demethylase
Type:
Protein
Mol. Mass.:
56817.21
Organism:
Homo sapiens (Human)
Description:
Q16850
Residue:
503
Sequence:
MLLLGLLQAGGSVLGQAMEKVTGGNLLSMLLIACAFTLSLVYLIRLAAGHLVQLPAGVKSPPYIFSPIPFLGHAIAFGKSPIEFLENAYEKYGPVFSFTMVGKTFTYLLGSDAAALLFNSKNEDLNAEDVYSRLTTPVFGKGVAYDVPNPVFLEQKKMLKSGLNIAHFKQHVSIIEKETKEYFESWGESGEKNVFEALSELIILTASHCLHGKEIRSQLNEKVAQLYADLDGGFSHAAWLLPGWLPLPSFRRRDRAHREIKDIFYKAIQKRRQSQEKIDDILQTLLDATYKDGRPLTDDEVAGMLIGLLLAGQHTSSTTSAWMGFFLARDKTLQKKCYLEQKTVCGENLPPLTYDQLKDLNLLDRCIKETLRLRPPIMIMMRMARTPQTVAGYTIPPGHQVCVSPTVNQRLKDSWVERLDFNPDRYLQDNPASGEKFAYVPFGAGRHRCIGENFAYVQIKTIWSTMLRLYEFDLIDGYFPTVNYTTMIHTPENPVIRYKRRSK
  
Inhibitor
Name:
BDBM50044425
Synonyms:
4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethylsulfanyl}-phenylamine | 4-{2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethylsulfanyl}-phenylamine | CHEMBL305220
Type:
Small organic molecule
Emp. Form.:
C22H24ClN3O2S
Mol. Mass.:
429.963
SMILES:
Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Structure:
Search PDB for entries with ligand similarity: