Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 125 (CYP125)
LigandBDBM8610
Substrate/Competitorn/a
Meas. Tech.Binding Assay
Kd 2.71e+4± 9e+2 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
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 125 (CYP125)
Name:Cytochrome P450 125 (CYP125)
Synonyms:Cholest-4-en-3-one 26-monooxygenase | Steroid C26-monooxygenase
Type:Enzyme
Mol. Mass.:48425.01
Organism:Mycobacterium tuberculosis
Description:P9WPP0
Residue:433
Sequence:
MSWNHQSVEIAVRRTTVPSPNLPPGFDFTDPAIYAERLPVAEFAELRSAAPIWWNGQDPG
KGGGFHDGGFWAITKLNDVKEISRHSDVFSSYENGVIPRFKNDIAREDIEVQRFVMLNMD
APHHTRLRKIISRGFTPRAVGRLHDELQERAQKIAAEAAAAGSGDFVEQVSCELPLQAIA
GLLGVPQEDRGKLFHWSNEMTGNEDPEYAHIDPKASSAELIGYAMKMAEEKAKNPADDIV
TQLIQADIDGEKLSDDEFGFFVVMLAVAGNETTRNSITQGMMAFAEHPDQWELYKKVRPE
TAADEIVRWATPVTAFQRTALRDYELSGVQIKKGQRVVMFYRSANFDEEVFQDPFTFNIL
RNPNPHVGFGGTGAHYCIGANLARMTINLIFNAVADHMPDLKPISAPERLRSGWLNGIKH
WQVDYTGRCPVAH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM8610
n/a
NameBDBM8610
Synonyms:1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one | 24F2-1,25(OH)D3 | CHEMBL75 | KTZ | Ketoconazole | Ketoconazole (k) | US9138393, Ketoconozole | US9144538, Ketoconozole
TypeSmall organic molecule
Emp. Form.C26H28Cl2N4O4
Mol. Mass.531.431
SMILES[H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: