Reaction Details Report a problem with these data
Target
Steroid C26-monooxygenase
Ligand
BDBM31773
Substrate
n/a
Meas. Tech.
Binding Assay
Kd
1.17e+4± 7e+2 nM
Citation
 Driscoll, MD; McLean, KJ; Levy, C; Mast, N; Pikuleva, IA; Lafite, P; Rigby, SE; Leys, D; Munro, AW Structural and biochemical characterization of Mycobacterium tuberculosis CYP142: evidence for multiple cholesterol 27-hydroxylase activities in a human pathogen. J Biol Chem 285:38270-82 (2010) [PubMed]  Article 
Target
Name:
Steroid C26-monooxygenase
Synonyms:
CP125_MYCTO | Cholest-4-en-3-one 26-monooxygenase | Cytochrome P450 125 (CYP125) | Steroid C26-monooxygenase | cyp125 | cyp125A1
Type:
Enzyme
Mol. Mass.:
48425.01
Organism:
Mycobacterium tuberculosis
Description:
P9WPP0
Residue:
433
Sequence:
MSWNHQSVEIAVRRTTVPSPNLPPGFDFTDPAIYAERLPVAEFAELRSAAPIWWNGQDPGKGGGFHDGGFWAITKLNDVKEISRHSDVFSSYENGVIPRFKNDIAREDIEVQRFVMLNMDAPHHTRLRKIISRGFTPRAVGRLHDELQERAQKIAAEAAAAGSGDFVEQVSCELPLQAIAGLLGVPQEDRGKLFHWSNEMTGNEDPEYAHIDPKASSAELIGYAMKMAEEKAKNPADDIVTQLIQADIDGEKLSDDEFGFFVVMLAVAGNETTRNSITQGMMAFAEHPDQWELYKKVRPETAADEIVRWATPVTAFQRTALRDYELSGVQIKKGQRVVMFYRSANFDEEVFQDPFTFNILRNPNPHVGFGGTGAHYCIGANLARMTINLIFNAVADHMPDLKPISAPERLRSGWLNGIKHWQVDYTGRCPVAH
  
Inhibitor
Name:
BDBM31773
Synonyms:
ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pevaryl | cid_68589
Type:
Small organic molecule
Emp. Form.:
C18H15Cl3N2O
Mol. Mass.:
381.684
SMILES:
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Structure:
Search PDB for entries with ligand similarity: