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Target
Steroid 17-alpha-hydroxylase/17,20 lyase
Ligand
BDBM8912
Substrate
BDBM8903
Meas. Tech.
CYP17 Assay
IC50
233±n/a nM
Citation
 Voets, M; Antes, I; Scherer, C; Muller-Vieira, U; Biemel, K; Barassin, C; Marchais-Oberwinkler, S; Hartmann, RW Heteroaryl-substituted naphthalenes and structurally modified derivatives: selective inhibitors of CYP11B2 for the treatment of congestive heart failure and myocardial fibrosis. J Med Chem 48:6632-42 (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:
BDBM8912
Synonyms:
3-(1,5-Dichloro-6-methoxy-2-naphthyl)pyridine | 3-(1,5-dichloro-6-methoxynaphthalen-2-yl)pyridine | Pyridine-substituted naphthalene 12 | US9271963, 12
Type:
Small organic molecule
Emp. Form.:
C16H11Cl2NO
Mol. Mass.:
304.171
SMILES:
COc1ccc2c(Cl)c(ccc2c1Cl)-c1cccnc1
Structure:
Search PDB for entries with ligand similarity:
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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