Reaction Details Report a problem with these data
Target
Lanosterol 14-alpha demethylase
Ligand
BDBM50027886
Substrate
n/a
Meas. Tech.
ChEMBL_470779 (CHEMBL934981)
IC50
>200000±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:
BDBM50027886
Synonyms:
1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3-(p-tolylsulfonyl)urea | 1-Butyl-3-tosylurea | CHEMBL782 | N-(4-Methylphenylsulfonyl)-N'-butylurea | N-Butyl-N'-(4-methylphenylsulfonyl)urea | N-Butyl-N'-(p-tolylsulfonyl)urea | N-[(butylamino)carbonyl]-4-methylbenzenesulfonamide | N-n-Butyl-N'-tosylurea | Orinase (TN) | TOLBUTAMIDE
Type:
Small organic molecule
Emp. Form.:
C12H18N2O3S
Mol. Mass.:
270.348
SMILES:
CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
Structure:
Search PDB for entries with ligand similarity: