| Reaction Details |
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 | Report a problem with these data |
| Target | Steroid 17-alpha-hydroxylase/17,20 lyase |
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| Ligand | BDBM50128556 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_50527 (CHEMBL661144) |
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| IC50 | 616.50±n/a nM |
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| Citation |  Clement, OO; Freeman, CM; Hartmann, RW; Handratta, VD; Vasaitis, TS; Brodie, AM; Njar, VC Three dimensional pharmacophore modeling of human CYP17 inhibitors. Potential agents for prostate cancer therapy. J Med Chem46:2345-51 (2003) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Steroid 17-alpha-hydroxylase/17,20 lyase |
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| Name: | Steroid 17-alpha-hydroxylase/17,20 lyase |
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| 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) |
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| Type: | Enzyme |
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| Mol. Mass.: | 57382.42 |
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| Organism: | Homo sapiens (Human) |
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| Description: | E.coli expressing human CYP17 |
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| Residue: | 508 |
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| Sequence: | MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKY
GPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDIASNNRKGIAFADSGAH
WQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVIS
LICFNTSYKNGDPELNVIQNYNEGIIDNLSKDSLVDLVPWLKIFPNKTLEKLKSHVKIRN
DLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIF
GAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREV
LRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNP
AGTQLISPSVSYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEGIP
KVVFLIDSFKVKIKVRQAWREAQAEGST
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| BDBM50128556 |
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| n/a |
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| Name | BDBM50128556 |
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| Synonyms: | (R)-4-((3S,10R)-3-Hydroxy-10-methyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-pentanoic acid bicyclo[3.2.1]oct-3-en-6-yl ester | CHEMBL80216 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H46O3 |
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| Mol. Mass. | 466.6951 |
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| SMILES | CC(CCC(=O)OC1CC2CC1C=CC2)[C@H]1CCC2C1CCC1C2CC=C2C[C@@H](O)CC[C@]12C |c:13,t:29,THB:6:7:10:12.13.14| |
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| Structure | 
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