Reaction Details |
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Target | Lanosterol 14-alpha demethylase |
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Ligand | BDBM50127138 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_470779 (CHEMBL934981) |
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IC50 | 3600±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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BDBM50127138 |
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n/a |
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Name | BDBM50127138 |
Synonyms: | 2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one | CHEMBL22587 | ITRACONAZOLE | Itrizole (TN) | Oriconazole | Sporanox (TN) |
Type | Small organic molecule |
Emp. Form. | C35H38Cl2N8O4 |
Mol. Mass. | 705.633 |
SMILES | CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O |r| |
Structure |
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