Target
Steroid C26-monooxygenase
Ligand
BDBM25817
Substrate
n/a
Meas. Tech.
Binding Assay
Kd
4.31e+4± 3.8e+3 nM
Citation
 Driscoll, MDMcLean, KJLevy, CMast, NPikuleva, IALafite, PRigby, SELeys, DMunro, 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:
BDBM25817
Synonyms:
2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol | CHEMBL106 | Diflucan | Fluconazole | Fluconazole (f) | Fungata | Triflucan | US10221160, Fluconazole | US11247981, Example Fluconazole | US9138393, Fluconazole | US9144538, Fluconazole | US9221791, Fluconazole | US9556143, Fluconazole | cid_3365
Type:
Small organic molecule
Emp. Form.:
C13H12F2N6O
Mol. Mass.:
306.2708
SMILES:
OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
Structure:
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