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Reaction Details
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TargetCytochrome P450 2A6
LigandBDBM50041234
Substrate/Competitorn/a
Meas. Tech.ChEMBL_738462 (CHEMBL1743539)
Ki 1900±n/a nM
Citation Fontana, E; Dansette, PM; Poli, 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:
BDBM50041234
n/a
NameBDBM50041234
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
TypeSmall organic molecule
Emp. Form.C12H8O4
Mol. Mass.216.1895
SMILESCOc1c2occc2cc2ccc(=O)oc12
Structure
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