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Target
Steroid 17-alpha-hydroxylase/17,20 lyase
Ligand
BDBM50029230
Substrate
n/a
Meas. Tech.
ChEMBL_50519 (CHEMBL661136)
IC50
13±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:
BDBM50029230
Synonyms:
2-Methyl-2-pyridin-3-yl-propionic acid 2-methyl-adamantan-2-yl ester | CHEMBL3084923
Type:
Small organic molecule
Emp. Form.:
C20H27NO2
Mol. Mass.:
313.4339
SMILES:
CC(C)(C(=O)OC1(C)C2CC3CC(C2)CC1C3)c1cccnc1 |TLB:7:6:10.9.16:12.13.14,5:6:13:10.9.11,16:15:13:10.9.11,THB:7:6:13:10.9.11,5:6:10.9.16:12.13.14,16:10:13:6.15.14,11:10:6:12.13.14,11:12:6:10.9.16,(4.95,-9.51,;4.66,-11.03,;4.37,-12.54,;6.18,-11.31,;6.68,-12.77,;7.18,-10.15,;8.69,-10.43,;8.91,-11.96,;10.07,-9.74,;10.07,-8.34,;10.91,-6.87,;12.28,-7.56,;12.28,-8.96,;11.44,-10.43,;10.91,-9.66,;9.53,-8.96,;9.53,-7.56,;3.15,-10.74,;2.64,-9.28,;1.13,-9,;.12,-10.16,;.63,-11.62,;2.14,-11.9,)|
Structure:
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