Reaction Details Report a problem with these data
Target
Cholesterol 24-hydroxylase
Ligand
BDBM50540105
Substrate
n/a
Meas. Tech.
ChEMBL_1980733 (CHEMBL4613995)
Kd
1600±n/a nM
Citation
 Mast, N; Verwilst, P; Wilkey, CJ; Guengerich, FP; Pikuleva, IA In Vitro Activation of Cytochrome P450 46A1 (CYP46A1) by Efavirenz-Related Compounds. J Med Chem 63:6477-6488 (2020) [PubMed]  Article 
Target
Name:
Cholesterol 24-hydroxylase
Synonyms:
CP46A_HUMAN | CYP46 | CYP46A1 | Cholesterol 24-hydroxylase (CH24H)
Type:
Protein
Mol. Mass.:
56834.45
Organism:
Homo sapiens (Human)
Description:
Q9Y6A2
Residue:
500
Sequence:
MSPGLLLLGSAVLLAFGLCCTFVHRARSRYEHIPGPPRPSFLLGHLPCFWKKDEVGGRVLQDVFLDWAKKYGPVVRVNVFHKTSVIVTSPESVKKFLMSTKYNKDSKMYRALQTVFGERLFGQGLVSECNYERWHKQRRVIDLAFSRSSLVSLMETFNEKAEQLVEILEAKADGQTPVSMQDMLTYTAMDILAKAAFGMETSMLLGAQKPLSQAVKLMLEGITASRNTLAKFLPGKRKQLREVRESIRFLRQVGRDWVQRRREALKRGEEVPADILTQILKAEEGAQDDEGLLDNFVTFFIAGHETSANHLAFTVMELSRQPEIVARLQAEVDEVIGSKRYLDFEDLGRLQYLSQVLKESLRLYPPAWGTFRLLEEETLIDGVRVPGNTPLLFSTYVMGRMDTYFEDPLTFNPDRFGPGAPKPRFTYFPFSLGHRSCIGQQFAQMEVKVVMAKLLQRLEFRLVPGQRFGLQEQATLKPLDPVLCTLRPRGWQPAPPPPPC
  
Inhibitor
Name:
BDBM50540105
Synonyms:
CHEMBL4648558
Type:
Small organic molecule
Emp. Form.:
C14H9ClF3NO4
Mol. Mass.:
347.674
SMILES:
Oc1cc(Cl)cc2c1NC(=O)OC2(C#CC1(O)CC1)C(F)(F)F
Structure:
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