Reaction Details Report a problem with these data
Target
Steroid 17-alpha-hydroxylase/17,20 lyase
Ligand
BDBM254823
Substrate
n/a
Meas. Tech.
Inhibitory Activity Assay
pH
7.4000±n/a
IC50
15190±1580 nM
Comments
extracted
Citation
 Bothe, U; Barak, N; Busemann, M; Fischer, OM; Rotgeri, A; Gashaw, I; Hartung, I; Marquardt, T Estra-1,3,5(10),16-tetraene-3-carboxamide derivatives, processes for their preparation, pharmaceutical preparations comprising them and their use for preparing medicaments US Patent  US9487554 Publication Date 11/8/2016 
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:
BDBM254823
Synonyms:
US9487554, 10
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(=O)NCC(O)=O)[C@@H]1CC=C2c1cncc(F)c1 |r,c:26|
Structure:
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