Reaction Details Report a problem with these data
Target
Lanosterol 14-alpha demethylase
Ligand
BDBM50065953
Substrate
n/a
Meas. Tech.
ChEMBL_470779 (CHEMBL934981)
IC50
3100±n/a nM
Citation
 Ekins, S; Mankowski, DC; Hoover, DJ; Lawton, MP; Treadway, JL; Harwood, HJ Three-dimensional quantitative structure-activity relationship analysis of human CYP51 inhibitors. Drug Metab Dispos 35:493-500 (2007) [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:
509
Sequence:
MAAAAGMLLLGLLQAGGSVLGQAMEKVTGGNLLSMLLIACAFTLSLVYLIRLAAGHLVQLPAGVKSPPYIFSPIPFLGHAIAFGKSPIEFLENAYEKYGPVFSFTMVGKTFTYLLGSDAAALLFNSKNEDLNAEDVYSRLTTPVFGKGVAYDVPNPVFLEQKKMLKSGLNIAHFKQHVSIIEKETKEYFESWGESGEKNVFEALSELIILTASHCLHGKEIRSQLNEKVAQLYADLDGGFSHAAWLLPGWLPLPSFRRRDRAHREIKDIFYKAIQKRRQSQEKIDDILQTLLDATYKDGRPLTDDEVAGMLIGLLLAGQHTSSTTSAWMGFFLARDKTLQKKCYLEQKTVCGENLPPLTYDQLKDLNLLDRCIKETLRLRPPIMIMMRMARTPQTVAGYTIPPGHQVCVSPTVNQRLKDSWVERLDFNPDRYLQDNPASGEKFAYVPFGAGRHRCIGENFAYVQIKTIWSTMLRLYEFDLIDGYFPTVNYTTMIHTPENPVIRYKRRSK
  
Inhibitor
Name:
BDBM50065953
Synonyms:
(S)-5-chloro-N-(1-(4-hydroxypiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide | 5-Chloro-1H-indole-2-carboxylic acid [(S)-1-benzyl-2-(4-hydroxy-piperidin-1-yl)-2-oxo-ethyl]-amide | CHEMBL317410
Type:
Small organic molecule
Emp. Form.:
C23H24ClN3O3
Mol. Mass.:
425.908
SMILES:
OC1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Structure:
Search PDB for entries with ligand similarity: