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Target
Steroid 17-alpha-hydroxylase/17,20 lyase
Ligand
BDBM8879
Substrate
BDBM8903
Meas. Tech.
CYP11B Assay
Citation
 Ulmschneider, S; Muller-Vieira, U; Mitrenga, M; Hartmann, RW; Oberwinkler-Marchais, S; Klein, CD; Bureik, M; Bernhardt, R; Antes, I; Lengauer, T Synthesis and evaluation of imidazolylmethylenetetrahydronaphthalenes and imidazolylmethyleneindanes: potent inhibitors of aldosterone synthase. J Med Chem 48:1796-805 (2005) [PubMed]  Article 
Target
Name:
Steroid 17-alpha-hydroxylase/17,20 lyase
Synonyms:
CP17A_HUMAN | CYP17 | CYP17A1 | CYPXVII | Cytochrome P450 17A1 | Cytochrome P450 C17 (CYP17 ) | Cytochrome P450 C17 (CYP17) | Cytochrome P450 CYP17 | Cytochrome P450-C17 | Cytochrome P450-C17 (CYP17) | P450-C17 | S17AH | Steroid 17-alpha-Monooxygenase (CYP17) | Steroid 17-alpha-hydroxylase/17,20 lyase | Steroid 17-alpha-monooxygenase | cytochrome P450 monooxygenase 17 alpha hydroxylase/17,20-lyase (CYP17)
Type:
Enzyme
Mol. Mass.:
57382.42
Organism:
Homo sapiens (Human)
Description:
E.coli expressing human CYP17
Residue:
508
Sequence:
MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDIASNNRKGIAFADSGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVISLICFNTSYKNGDPELNVIQNYNEGIIDNLSKDSLVDLVPWLKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREVLRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNPAGTQLISPSVSYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEGIPKVVFLIDSFKVKIKVRQAWREAQAEGST
  
Inhibitor
Name:
BDBM8879
Synonyms:
5-[(E)-(5-Fluoro-2,3-dihydro-1H-inden-1-ylidene)methyl]-1H-imidazole | 5-{[(1E)-5-fluoro-2,3-dihydro-1H-inden-1-ylidene]methyl}-1H-imidazole | Imidazolylmethyleneindane 7a | Imidazolylmethyleneindane 7b
Type:
Small organic molecule
Emp. Form.:
C13H11FN2
Mol. Mass.:
214.2382
SMILES:
Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
Structure:
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Substrate
Name:
BDBM8903
Synonyms:
(1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one | CHEMBL103 | progesterone
Type:
Steroid
Emp. Form.:
C21H30O2
Mol. Mass.:
314.4617
SMILES:
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
Structure:
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