| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cytochrome P450 2A5 |
|---|
| Ligand | BDBM50159265 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_305268 (CHEMBL832818) |
|---|
| IC50 | 4680±n/a nM |
|---|
| Citation |  Rahnasto, M; Raunio, H; Poso, A; Wittekindt, C; Juvonen, RO Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme. J Med Chem48:440-9 (2005) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Cytochrome P450 2A5 |
|---|
| Name: | Cytochrome P450 2A5 |
|---|
| Synonyms: | CP2A5_MOUSE | Cyp2a-5 | Cyp2a5 |
|---|
| Type: | PROTEIN |
|---|
| Mol. Mass.: | 56752.73 |
|---|
| Organism: | Mus musculus |
|---|
| Description: | ChEMBL_572014 |
|---|
| Residue: | 494 |
|---|
| Sequence: | MLTSGLLLVAAVAFLSVLVLMSVWKQRKLSGKLPPGPTPLPFIGNFLQLNTEQMYNSLMK
ISQRYGPVFTIYLGPRRIVVLCGQEAVKEALVDQAEEFSGRGEQATFDWLFKGYGVVFSS
GERAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDSFRKTNGAFIDPTFYLSRTVSN
VISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSMGQLYEMFSSVMKHLPGPQQQAFKE
LQGLEDFITKKVEHNQRTLDPNSPRDFIDSFLIRMLEEKKNPNTEFYMKNLVLTTLNLFF
AGTETVSTTLRYGFLLLMKHPDIEAKVHEEIDRVIGRNRQPKYEDRMKMPYTEAVIHEIQ
RFADMIPMGLARRVTKDTKFRDFLLPKGTEVFPMLGSVLKDPKFFSNPKDFNPKHFLDDK
GQFKKNDAFVPFSIGKRYCFGEGLARMELFLFLTNIMQNFHFKSTQAPQDIDVSPRLVGF
ATIPPTYTMSFLSR
|
|
|
|---|
| BDBM50159265 |
|---|
| n/a |
|---|
| Name | BDBM50159265 |
|---|
| Synonyms: | 4-Methylbenzaldehyde | 4-Tolualdehyde | CHEMBL190927 | PTAL | Paratolualdehyde | p-Tolualdehyde, c | p-Toluylaldehyde | p-Tolylaldehyde | p-tolualdehyde | para-Methylbenzaldehyde | para-Tolualdehyde | para-Toluyl aldehyde |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C8H8O |
|---|
| Mol. Mass. | 120.1485 |
|---|
| SMILES | Cc1ccc(C=O)cc1 |
|---|
| Structure | 
|
|---|
Search and Browse
