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TargetCytochrome P450 2A6
LigandBDBM50272591
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1712609 (CHEMBL4122658)
IC50>50000±n/a nM
Citation Miyazaki, HIkeda, YSakurai, OMiyake, TTsubota, ROkabe, JKuroda, MHisada, YYanagida, TYoneda, HTsukumo, YTokunaga, SKawata, TOhashi, RFukuda, HKojima, KKannami, AKifuji, TSato, NIdei, AIguchi, TSakairi, TMoritani, Y Discovery of evocalcet, a next-generation calcium-sensing receptor agonist for the treatment of hyperparathyroidism. Bioorg Med Chem Lett28:2055-2060 (2018) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50272591
n/a
NameBDBM50272591
Synonyms:CHEMBL4128835
TypeSmall organic molecule
Emp. Form.C24H28Cl2N2O2
Mol. Mass.447.397
SMILESCl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(CC(O)=O)cc1)c1cccc2ccccc12 |r|
Structure
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