Reaction Details Report a problem with these data
Target
Steroid 17-alpha-hydroxylase/17,20 lyase
Ligand
BDBM50029235
Substrate
n/a
Meas. Tech.
ChEMBL_50519 (CHEMBL661136)
IC50
320±n/a nM
Citation
 Rowlands, MG; Barrie, SE; Chan, F; Houghton, J; Jarman, M; McCague, R; Potter, GA Esters of 3-pyridylacetic acid that combine potent inhibition of 17 alpha-hydroxylase/C17,20-lyase (cytochrome P45017 alpha) with resistance to esterase hydrolysis. J Med Chem 38:4191-7 (1995) [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:
BDBM50029235
Synonyms:
CHEMBL3084924 | Pyridin-3-yl-acetic acid 2-methyl-adamantan-2-yl ester
Type:
Small organic molecule
Emp. Form.:
C18H23NO2
Mol. Mass.:
285.3807
SMILES:
CC1(OC(=O)Cc2cccnc2)C2CC3CC(C2)CC1C3 |TLB:17:12:20:16.18.15,17:16:1.12.13:20,0:1:14.13.20:16.18.17,THB:2:1:14.13.20:16.18.17,2:1:20:16.18.15,15:14:1:16.18.17,15:16:1:14.13.20,(3.25,-8.58,;4.78,-8.43,;4.56,-9.95,;5.77,-10.91,;7.2,-10.33,;5.55,-12.43,;6.76,-13.38,;8.19,-12.81,;9.4,-13.76,;9.18,-15.29,;7.75,-15.86,;6.54,-14.91,;5.62,-6.95,;6.99,-7.65,;8.37,-6.95,;8.37,-5.56,;6.99,-4.86,;5.62,-5.56,;6.15,-6.33,;6.15,-7.73,;7.53,-8.43,)|
Structure:
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