Reaction Details Report a problem with these data
Target
Cytochrome P450 2A6
Ligand
BDBM50003616
Substrate
n/a
Meas. Tech.
ChEMBL_738465 (CHEMBL1743366)
Ki
9150000±n/a nM
Citation
 Fontana, E; Dansette, PM; Poli, SM Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity. Curr Drug Metab 6:413-54 (2005) [PubMed]  Article 
Target
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:
MLASGMLLVALLVCLTVMVLMSVWQQRKSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIHLGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSNGERAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTFFLSRTVSNVISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEMFSSVMKHLPGPQQQAFQLLQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFLIRMQEEEKNPNTEFYLKNLVMTTLNLFIGGTETVSTTLRYGFLLLMKHPEVEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQRFGDVIPMSLARRVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEKGQFKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDIDVSPKHVGFATIPRNYTMSFLPR
  
Inhibitor
Name:
BDBM50003616
Synonyms:
2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n-propylessigsaeure | VALPROIC ACID | Valproinsaeure | dipropylacetic acid | n-DPA
Type:
Small organic molecule
Emp. Form.:
C8H16O2
Mol. Mass.:
144.2114
SMILES:
CCCC(CCC)C(O)=O
Structure:
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