Reaction Details |
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Target | Cytochrome P450 1A2 |
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Ligand | BDBM50180849 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1584743 (CHEMBL3821694) |
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IC50 | >20000±n/a nM |
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Citation | Carosati, E; Cosimelli, B; Ioan, P; Severi, E; Katneni, K; Chiu, FC; Saponara, S; Fusi, F; Frosini, M; Matucci, R; Micucci, M; Chiarini, A; Spinelli, D; Budriesi, R Understanding Oxadiazolothiazinone Biological Properties: Negative Inotropic Activity versus Cytochrome P450-Mediated Metabolism. J Med Chem59:3340-52 (2016) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 1A2 |
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Name: | Cytochrome P450 1A2 |
Synonyms: | CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3 |
Type: | Enzyme |
Mol. Mass.: | 58423.38 |
Organism: | Homo sapiens (Human) |
Description: | P05177 |
Residue: | 516 |
Sequence: | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
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BDBM50180849 |
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n/a |
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Name | BDBM50180849 |
Synonyms: | CHEMBL3408529 |
Type | Small organic molecule |
Emp. Form. | C17H10BrF3N2O3S |
Mol. Mass. | 459.237 |
SMILES | FC(F)(F)COC1(Sc2ccccc2-n2c1noc2=O)c1ccc(Br)cc1 |
Structure |
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