Reaction Details |
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Target | Lanosterol 14-alpha demethylase |
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Ligand | BDBM31768 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_470779 (CHEMBL934981) |
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IC50 | 190±n/a nM |
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Citation | Ekins, S; Mankowski, DC; Hoover, DJ; Lawton, MP; Treadway, JL; Harwood, HJ Three-dimensional quantitative structure-activity relationship analysis of human CYP51 inhibitors. Drug Metab Dispos35:493-500 (2007) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Lanosterol 14-alpha demethylase |
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Name: | Lanosterol 14-alpha demethylase |
Synonyms: | CP51A_HUMAN | CYP51 | CYP51A1 | CYPLI | Cytochrome P450 51 | Cytochrome P450 51A1 | LDM | Lanosterol 14-alpha demethylase | P450-14DM | P45014DM | P450LI | Sterol 14α-demethylase (CYP51) | Sterol 14-alpha demethylase |
Type: | Protein |
Mol. Mass.: | 56817.21 |
Organism: | Homo sapiens (Human) |
Description: | Q16850 |
Residue: | 509 |
Sequence: | MAAAAGMLLLGLLQAGGSVLGQAMEKVTGGNLLSMLLIACAFTLSLVYLIRLAAGHLVQL
PAGVKSPPYIFSPIPFLGHAIAFGKSPIEFLENAYEKYGPVFSFTMVGKTFTYLLGSDAA
ALLFNSKNEDLNAEDVYSRLTTPVFGKGVAYDVPNPVFLEQKKMLKSGLNIAHFKQHVSI
IEKETKEYFESWGESGEKNVFEALSELIILTASHCLHGKEIRSQLNEKVAQLYADLDGGF
SHAAWLLPGWLPLPSFRRRDRAHREIKDIFYKAIQKRRQSQEKIDDILQTLLDATYKDGR
PLTDDEVAGMLIGLLLAGQHTSSTTSAWMGFFLARDKTLQKKCYLEQKTVCGENLPPLTY
DQLKDLNLLDRCIKETLRLRPPIMIMMRMARTPQTVAGYTIPPGHQVCVSPTVNQRLKDS
WVERLDFNPDRYLQDNPASGEKFAYVPFGAGRHRCIGENFAYVQIKTIWSTMLRLYEFDL
IDGYFPTVNYTTMIHTPENPVIRYKRRSK
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BDBM31768 |
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n/a |
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Name | BDBM31768 |
Synonyms: | CHEMBL295698 | Ketoconazole | Nizoral | Panfungol |
Type | Small organic molecule |
Emp. Form. | C26H28Cl2N4O4 |
Mol. Mass. | 531.431 |
SMILES | CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| |
Structure |
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