Reaction Details Report a problem with these data
Target
Lanosterol 14-alpha-demethylase
Ligand
BDBM81306
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
6±0
Kd
7.1e+2±n/a nM
Citation
 Lepesheva, GI; Ott, RD; Hargrove, TY; Kleshchenko, YY; Schuster, I; Nes, WD; Hill, GC; Villalta, F; Waterman, MR Sterol 14alpha-demethylase as a potential target for antitrypanosomal therapy: enzyme inhibition and parasite cell growth. Chem Biol 14:1283-93 (2007) [PubMed]  Article 
Target
Name:
Lanosterol 14-alpha-demethylase
Synonyms:
Lanosterol 14-alpha demethylase | Sterol 14-alpha demethylase (CYP51)
Type:
Protein
Mol. Mass.:
54377.77
Organism:
Trypanosoma brucei
Description:
Q385E8
Residue:
481
Sequence:
MLLEVAIFLLTALALYSFYFVKSFNVTRPTDPPVYPVTVPILGHIIQFGKSPLGFMQECKRQLKSGIFTINIVGKRVTIVGDPHEHSRFFLPRNEVLSPREVYSFMVPVFGEGVAYAAPYPRMREQLNFLAEELTIAKFQNFVPAIQHEVRKFMAANWDKDEGEINLLEDCSTMIINTACQCLFGEDLRKRLDARRFAQLLAKMESSLIPAAVFLPILLKLPLPQSARCHEARTELQKILSEIIIARKEEEVNKDSSTSDLLSGLLSAVYRDGTPMSLHEVCGMIVAAMFAGQHTSSITTTWSMLHLMHPANVKHLEALRKEIEEFPAQLNYNNVMDEMPFAERCARESIRRDPPLLMLMRKVMADVKVGSYVVPKGDIIACSPLLSHHDEEAFPEPRRWDPERDEKVEGAFIGFGAGVHKCIGQKFGLLQVKTILATAFRSYDFQLLRDEVPDPDYHTMVVGPTASQCRVKYIRRKAAAA
  
Inhibitor
Name:
BDBM81306
Synonyms:
Azole, 11
Type:
Small organic molecule
Emp. Form.:
C26H24ClN3O2
Mol. Mass.:
445.941
SMILES:
COc1ccc(CC(CNC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)n2ccnc2)cc1
Structure:
Search PDB for entries with ligand similarity: