Reaction Details |
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Target | Steroid C26-monooxygenase |
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Ligand | BDBM50127138 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Binding Assay |
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Kd | 3.02e+4± 4.3e+3 nM |
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Citation | Driscoll, MD; McLean, KJ; Levy, C; Mast, N; Pikuleva, IA; Lafite, P; Rigby, SE; Leys, D; Munro, AW Structural and biochemical characterization of Mycobacterium tuberculosis CYP142: evidence for multiple cholesterol 27-hydroxylase activities in a human pathogen. J Biol Chem285:38270-82 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Steroid C26-monooxygenase |
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Name: | Steroid C26-monooxygenase |
Synonyms: | CP125_MYCTO | Cholest-4-en-3-one 26-monooxygenase | Cytochrome P450 125 (CYP125) | Steroid C26-monooxygenase | cyp125 | cyp125A1 |
Type: | Enzyme |
Mol. Mass.: | 48425.01 |
Organism: | Mycobacterium tuberculosis |
Description: | P9WPP0 |
Residue: | 433 |
Sequence: | MSWNHQSVEIAVRRTTVPSPNLPPGFDFTDPAIYAERLPVAEFAELRSAAPIWWNGQDPG
KGGGFHDGGFWAITKLNDVKEISRHSDVFSSYENGVIPRFKNDIAREDIEVQRFVMLNMD
APHHTRLRKIISRGFTPRAVGRLHDELQERAQKIAAEAAAAGSGDFVEQVSCELPLQAIA
GLLGVPQEDRGKLFHWSNEMTGNEDPEYAHIDPKASSAELIGYAMKMAEEKAKNPADDIV
TQLIQADIDGEKLSDDEFGFFVVMLAVAGNETTRNSITQGMMAFAEHPDQWELYKKVRPE
TAADEIVRWATPVTAFQRTALRDYELSGVQIKKGQRVVMFYRSANFDEEVFQDPFTFNIL
RNPNPHVGFGGTGAHYCIGANLARMTINLIFNAVADHMPDLKPISAPERLRSGWLNGIKH
WQVDYTGRCPVAH
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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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