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Target
Steroid 17-alpha-hydroxylase/17,20 lyase
Ligand
BDBM8610
Substrate
n/a
Meas. Tech.
ChEMBL_1713960 (CHEMBL4124009)
IC50
48±n/a nM
Citation
 Blass, BE; Iyer, P; Abou-Gharbia, M; Childers, WE; Gordon, JC; Ramanjulu, M; Morton, G; Arumugam, P; Boruwa, J; Ellingboe, J; Mitra, S; Reddy Nimmareddy, R; Paliwal, S; Rajasekhar, J; Shivakumar, S; Srivastava, P; Tangirala, RS; Venkataramanaiah, K; Bobbala, R; Yanamandra, M; Krishnakanth Reddy, L Design and synthesis of functionalized piperazin-1yl-(E)-stilbenes as inhibitors of 17α-hydroxylase-C17,20-lyase (Cyp17). Bioorg Med Chem Lett 28:2270-2274 (2018) [PubMed]  Article 
Target
Name:
Steroid 17-alpha-hydroxylase/17,20 lyase
Synonyms:
Steroid 17-alpha-monooxygenase | Cytochrome P450 C17 (CYP17 ) | P450-C17 | Cytochrome P450-C17 (CYP17) | CYPXVII | Cytochrome P450 CYP17 | cytochrome P450 monooxygenase 17 alpha hydroxylase/17,20-lyase (CYP17) | Cytochrome P450 C17 (CYP17) | Cytochrome P450-C17 | Steroid 17-alpha-Monooxygenase (CYP17) | Steroid 17-alpha-hydroxylase/17,20 lyase | CP17A_HUMAN | CYP17A1 | CYP17 | S17AH | Cytochrome P450 17A1
Type:
Enzyme
Mol. Mass.:
57382.42
Organism:
Human
Description:
E.coli expressing human CYP17
Residue:
508
Sequence:
MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDIASNNRKGIAFADSGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVISLICFNTSYKNGDPELNVIQNYNEGIIDNLSKDSLVDLVPWLKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREVLRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNPAGTQLISPSVSYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEGIPKVVFLIDSFKVKIKVRQAWREAQAEGST
  
Inhibitor
Name:
BDBM8610
Synonyms:
24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one | CHEMBL75 | Ketoconazole | US9138393, Ketoconozole | US9144538, Ketoconozole
Type:
Small organic molecule
Emp. Form.:
C26H28Cl2N4O4
Mol. Mass.:
530.15
SMILES:
CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl
Structure:
Search PDB for entries with ligand similarity: