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TargetCytochrome P450 2A6
LigandBDBM50219566
Substrate/Competitorn/a
Meas. Tech.ChEMBL_445841 (CHEMBL896135)
IC50>500000±n/a nM
Citation Wilson, DPWan, ZKXu, WXKirincich, SJFollows, BCJoseph-McCarthy, DForeman, KMoretto, AWu, JZhu, MBinnun, EZhang, YLTam, MErbe, DVTobin, JXu, XLeung, LShilling, ATam, SYMansour, TSLee, J Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site. J Med Chem50:4681-98 (2007) [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:
BDBM50219566
n/a
NameBDBM50219566
Synonyms:4-bromo-3-carboxymethoxy-5-[3-(1-phenylmethanesulfonylpiperidin-4-ylamino)phenyl]thiophene-2-carboxylic acid | 5-(3-(1-(benzylsulfonyl)piperidin-4-ylamino)phenyl)-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid | 5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID | CHEMBL541214
TypeSmall organic molecule
Emp. Form.C25H25BrN2O7S2
Mol. Mass.609.509
SMILESOC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1
Structure
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