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Target
Cholesterol 24-hydroxylase
Ligand
BDBM2483
Substrate
n/a
Meas. Tech.
ChEMBL_1980734 (CHEMBL4613996)
Kd
10200±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:
BDBM2483
Synonyms:
(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazin-2-one | CHEMBL223228 | DMP-266 | EFV | Efavirenz | Efavirenz (EFV) | L-743,726 | Sustiva
Type:
Small organic molecule
Emp. Form.:
C14H9ClF3NO2
Mol. Mass.:
315.675
SMILES:
FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Structure:
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