Reaction Details Report a problem with these data
Target
Steroid 17-alpha-hydroxylase/17,20 lyase
Ligand
BDBM50338360
Substrate
n/a
Meas. Tech.
ChEMBL_728149 (CHEMBL1687150)
IC50
110±n/a nM
Citation
 Kaku, T; Matsunaga, N; Ojida, A; Tanaka, T; Hara, T; Yamaoka, M; Kusaka, M; Tasaka, A 17,20-lyase inhibitors. Part 4: design, synthesis and structure-activity relationships of naphthylmethylimidazole derivatives as novel 17,20-lyase inhibitors. Bioorg Med Chem 19:1751-70 (2011) [PubMed]  Article 
Target
Name:
Steroid 17-alpha-hydroxylase/17,20 lyase
Synonyms:
CP17A_RAT | Cyp17 | Cyp17a1 | Cytochrome P450 17,20 lyase | Cytochrome P450 17A1 | Cytochrome P450-C17 | Steroid 17-alpha-hydroxylase/17,20 lyase
Type:
Enzyme
Mol. Mass.:
57255.68
Organism:
Rattus norvegicus (Rat)
Description:
P11715
Residue:
507
Sequence:
MWELVGLLLLILAYFFWVKSKTPGAKLPRSLPSLPLVGSLPFLPRRGHMHVNFFKLQEKYGPIYSLRLGTTTTVIIGHYQLAREVLIKKGKEFSGRPQMVTQSLLSDQGKGVAFADAGSSWHLHRKLVFSTFSLFKDGQKLEKLICQEAKSLCDMMLAHDKESIDLSTPIFMSVTNIICAICFNISYEKNDPKLTAIKTFTEGIVDATGDRNLVDIFPWLTIFPNKGLEVIKGYAKVRNEVLTGIFEKCREKFDSQSISSLTDILIQAKMNSDNNNSCEGRDPDVFSDRHILATVGDIFGAGIETTTTVLKWILAFLVHNPEVKKKIQKEIDQYVGFSRTPTFNDRSHLLMLEATIREVLRIRPVAPMLIPHKANVDSSIGEFTVPKDTHVVVNLWALHHDENEWDQPDQFMPERFLDPTGSHLITPTQSYLPFGAGPRSCIGEALARQELFVFTALLLQRFDLDVSDDKQLPRLEGDPKVVFLIDPFKVKITVRQAWMDAQAEVST
  
Inhibitor
Name:
BDBM50338360
Synonyms:
(+)-(R)-7-(1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl)-2-methyl-1H-benzo[e]isoindol-3(2H)-one | CHEMBL1682905
Type:
Small organic molecule
Emp. Form.:
C20H21N3O2
Mol. Mass.:
335.3996
SMILES:
CC(C)[C@](O)(c1cnc[nH]1)c1ccc2c3CN(C)C(=O)c3ccc2c1 |r|
Structure:
Search PDB for entries with ligand similarity: