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Reaction Details
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TargetCytochrome P450 2A6
LigandBDBM50331544
Substrate/Competitorn/a
Meas. Tech.ChEMBL_738462 (CHEMBL1743539)
Ki 600±n/a nM
Citation Fontana, EDansette, PMPoli, SM Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity. Curr Drug Metab6:413-54 (2005) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50331544
n/a
NameBDBM50331544
Synonyms:7H-furo[3,2-g]chromen-7-one | CHEMBL164660 | Furo[3,2-g]chromen-7-one | psoralen
TypeSmall organic molecule
Emp. Form.C11H6O3
Mol. Mass.186.1635
SMILESO=c1ccc2cc3ccoc3cc2o1
Structure
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