Target
Steroid C26-monooxygenase
Ligand
BDBM50127138
Substrate
n/a
Meas. Tech.
Binding Assay
Kd
3.02e+4± 4.3e+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:
BDBM50127138
Synonyms:
2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one | CHEMBL22587 | ITRACONAZOLE | Itrizole (TN) | Oriconazole | Sporanox (TN)
Type:
Small organic molecule
Emp. Form.:
C35H38Cl2N8O4
Mol. Mass.:
705.633
SMILES:
CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O |r|
Structure:
Search PDB for entries with ligand similarity: