Reaction Details |
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Target | Cytochrome P450 2A6 |
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Ligand | BDBM247367 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Inhibition Assays |
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IC50 | >50000±n/a nM |
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Citation | Blagg, J; Bavetsias, V; Moore, AS; Linardopoulos, S Pharmaceutically active compounds US Patent US9447092 Publication Date 9/20/2016 |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 2A6 |
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Name: | Cytochrome P450 2A6 |
Synonyms: | 1,4-cineole 2-exo-monooxygenase | 1.14.13.- | CP2A6_HUMAN | CYP2A3 | CYP2A6 | CYPIIA6 | Coumarin 7-hydroxylase | Cytochrome P450 2A6 | Cytochrome P450 IIA3 | Cytochrome P450(I) |
Type: | Protein |
Mol. Mass.: | 56514.34 |
Organism: | Homo sapiens (Human) |
Description: | P11509 |
Residue: | 494 |
Sequence: | MLASGMLLVALLVCLTVMVLMSVWQQRKSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMK
ISERYGPVFTIHLGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSN
GERAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTFFLSRTVSN
VISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEMFSSVMKHLPGPQQQAFQL
LQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFLIRMQEEEKNPNTEFYLKNLVMTTLNLFI
GGTETVSTTLRYGFLLLMKHPEVEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQ
RFGDVIPMSLARRVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEK
GQFKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDIDVSPKHVGF
ATIPRNYTMSFLPR
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BDBM247367 |
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n/a |
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Name | BDBM247367 |
Synonyms: | US9447092, Comparator 1, Example 56 |
Type | Small organic molecule |
Emp. Form. | C20H21BrN8 |
Mol. Mass. | 453.338 |
SMILES | Cn1cc(cn1)-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1 |
Structure |
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