| Reaction Details |
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 | Report a problem with these data |
| Target | Steroid 21-hydroxylase |
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| Ligand | BDBM50004441 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_158901 |
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| IC50 | 6570±n/a nM |
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| Citation |  Rotstein, DM; Kertesz, DJ; Walker, KA; Swinney, DC Stereoisomers of ketoconazole: preparation and biological activity. J Med Chem35:2818-25 (1992) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Steroid 21-hydroxylase |
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| Name: | Steroid 21-hydroxylase |
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| Synonyms: | CP21A_HUMAN | CYP21 | CYP21A2 | CYP21B | Cytochrome P450 21 | Cytochrome P450 21A2 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 55896.25 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_1498865 |
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| Residue: | 494 |
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| Sequence: | MLLLGLLLLPLLAGARLLWNWWKLRSLHLPPLAPGFLHLLQPDLPIYLLGLTQKFGPIYR
LHLGLQDVVVLNSKRTIEEAMVKKWADFAGRPEPLTYKLVSKNYPDLSLGDYSLLWKAHK
KLTRSALLLGIRDSMEPVVEQLTQEFCERMRAQPGTPVAIEEEFSLLTCSIICYLTFGDK
IKDDNLMPAYYKCIQEVLKTWSHWSIQIVDVIPFLRFFPNPGLRRLKQAIEKRDHIVEMQ
LRQHKESLVAGQWRDMMDYMLQGVAQPSMEEGSGQLLEGHVHMAAVDLLIGGTETTANTL
SWAVVFLLHHPEIQQRLQEELDHELGPGASSSRVPYKDRARLPLLNATIAEVLRLRPVVP
LALPHRTTRPSSISGYDIPEGTVIIPNLQGAHLDETVWERPHEFWPDRFLEPGKNSRALA
FGCGARVCLGEPLARLELFVVLTRLLQAFTLLPSGDALPSLQPLPHCSVILKMQPFQVRL
QPRGMGAHSPGQNQ
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| BDBM50004441 |
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| n/a |
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| Name | BDBM50004441 |
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| Synonyms: | (2R,4R)-ketoconazole | 1-acetyl-4-(4-{[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine | CHEMBL328863 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H28Cl2N4O4 |
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| Mol. Mass. | 531.431 |
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| SMILES | CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |
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| Structure | 
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