Reaction Details Report a problem with these data
Target
Cytochrome P450 144
Ligand
BDBM8610
Substrate
n/a
Meas. Tech.
Binding Assay
Kd
1.34e+5± 5e+3 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
More Info.:
Target
Name:
Cytochrome P450 144
Synonyms:
CP144_MYCTO | Cytochrome P450 144 (CYP144) | cyp144
Type:
Enzyme
Mol. Mass.:
47207.78
Organism:
Mycobacterium tuberculosis
Description:
P9WPL0
Residue:
434
Sequence:
MRRSPKGSPGAVLDLQRRVDQAVSADHAELMTIAKDANTFFGAESVQDPYPLYERMRAAGSVHRIANSDFYAVCGWDAVNEAIGRPEDFSSNLTATMTYTAEGTAKPFEMDPLGGPTHVLATADDPAHAVHRKLVLRHLAAKRIRVMEQFTVQAADRLWVDGMQDGCIEWMGAMANRLPMMVVAELIGLPDPDIAQLVKWGYAATQLLEGLVENDQLVAAGVALMELSGYIFEQFDRAAADPRDNLLGELATACASGELDTLTAQVMMVTLFAAGGESTAALLGSAVWILATRPDIQQQVRANPELLGAFIEETLRYEPPFRGHYRHVRNATTLDGTELPADSHLLLLWGAANRDPAQFEAPGEFRLDRAGGKGHISFGKGAHFCVGAALARLEARIVLRLLLDRTSVIEAADVGGWLPSILVRRIERLELAVQ
Inhibitor
Name:
BDBM8610
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
Type:
Small 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|