Reaction Details Report a problem with these data
Target
Steroid 17-alpha-hydroxylase/17,20 lyase
Ligand
BDBM50052668
Substrate
n/a
Meas. Tech.
ChEMBL_50522 (CHEMBL661139)
IC50
1.8±n/a nM
Citation
 Chan, FC; Potter, GA; Barrie, SE; Haynes, BP; Rowlands, MG; Houghton, J; Jarman, M 3- and 4-pyridylalkyl adamantanecarboxylates: inhibitors of human cytochrome P450(17 alpha) (17 alpha-hydroxylase/C17,20-lyase). Potential nonsteroidal agents for the treatment of prostatic cancer. J Med Chem 39:3319-23 (1996) [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:
BDBM50052668
Synonyms:
Adamantane-1-carboxylic acid (S)-1-pyridin-4-yl-ethyl ester | CHEMBL110524
Type:
Small organic molecule
Emp. Form.:
C18H23NO2
Mol. Mass.:
285.3807
SMILES:
C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 |TLB:12:7:14:13.11.10,12:11:14:6.7.8,THB:10:11:6:14.9.8,10:9:6:13.11.12|
Structure:
Search PDB for entries with ligand similarity: