Reaction Details |
| Report a problem with these data |
Target | Cytochrome P450 2A6 |
---|
Ligand | BDBM50041234 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_2294775 |
---|
Ki | 90±n/a nM |
---|
Citation | Yamaguchi, Y; Nishizono, N; Kobayashi, D; Yoshimura, T; Wada, K; Kobayashi, K; Oda, K Synthesis and biological evaluation of coumarin derivatives as selective CYP2A6 inhibitors. Bioorg Med Chem Lett86:0 (2023) [PubMed] |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Cytochrome P450 2A6 |
---|
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
|
|
|
BDBM50041234 |
---|
n/a |
---|
Name | BDBM50041234 |
Synonyms: | 6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone | 8-MP | 8-methoxy-2',3',6,7-furocoumarin | 8-methoxy-4',5':6,7-furocoumarin | 8-methoxy-[furano-3'.2':6.7-coumarin] | 8-methoxypsoralen | 9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one | 9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 | METHOXSALEN | xanthotoxin |
Type | Small organic molecule |
Emp. Form. | C12H8O4 |
Mol. Mass. | 216.1895 |
SMILES | COc1c2occc2cc2ccc(=O)oc12 |
Structure |
|