Reaction Details |
| Report a problem with these data |
Target | Cytochrome P450 2A6 |
---|
Ligand | BDBM50499773 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1541188 (CHEMBL3745190) |
---|
Ki | 1.9±n/a nM |
---|
Citation | Vaarla, K; Kesharwani, RK; Santosh, K; Vedula, RR; Kotamraju, S; Toopurani, MK Synthesis, biological activity evaluation and molecular docking studies of novel coumarin substituted thiazolyl-3-aryl-pyrazole-4-carbaldehydes. Bioorg Med Chem Lett25:5797-803 (2015) [PubMed] Article |
---|
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
|
|
|
BDBM50499773 |
---|
n/a |
---|
Name | BDBM50499773 |
Synonyms: | CHEMBL3739596 |
Type | Small organic molecule |
Emp. Form. | C24H17N3O4S |
Mol. Mass. | 443.474 |
SMILES | COc1cccc2cc(-c3csc(n3)-n3cc(C=O)c(n3)-c3ccc(C)cc3)c(=O)oc12 |
Structure |
|