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Target
Steroid 17-alpha-hydroxylase/17,20 lyase
Ligand
BDBM151585
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
400±n/a nM
Citation
 Hoekstra, WJ; Schotzinger, RJ; Rafferty, SW Metalloenzyme inhibitor compounds US Patent  US8987315 Publication Date 3/24/2015 
Target
Name:
Steroid 17-alpha-hydroxylase/17,20 lyase
Synonyms:
Steroid 17-alpha-monooxygenase | Cytochrome P450 C17 (CYP17 ) | P450-C17 | Cytochrome P450-C17 (CYP17) | CYPXVII | Cytochrome P450 CYP17 | cytochrome P450 monooxygenase 17 alpha hydroxylase/17,20-lyase (CYP17) | Cytochrome P450 C17 (CYP17) | Cytochrome P450-C17 | Steroid 17-alpha-Monooxygenase (CYP17) | Steroid 17-alpha-hydroxylase/17,20 lyase | CP17A_HUMAN | CYP17A1 | CYP17 | S17AH | Cytochrome P450 17A1
Type:
Enzyme
Mol. Mass.:
57382.42
Organism:
Human
Description:
E.coli expressing human CYP17
Residue:
508
Sequence:
MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDIASNNRKGIAFADSGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVISLICFNTSYKNGDPELNVIQNYNEGIIDNLSKDSLVDLVPWLKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREVLRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNPAGTQLISPSVSYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEGIPKVVFLIDSFKVKIKVRQAWREAQAEGST
  
Inhibitor
Name:
BDBM151585
Synonyms:
US8987315, Ketoconazole | US9180183, Ketoconazole | US9271963, Ketoconazole | US9394290, KTZ (ketoconazole) | US9963439, Ketoconazole | US11739089, Compound Ketoconazole
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@@H]3CO[C@@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl
Structure:
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