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TargetCytochrome P450 2C19
LigandBDBM50158460
Substrate/Competitorn/a
Meas. Tech.ChEMBL_430467 (CHEMBL916311)
Ki 3700±n/a nM
Citation Locuson, CW; Suzuki, H; Rettie, AE; Jones, JP Charge and substituent effects on affinity and metabolism of benzbromarone-based CYP2C19 inhibitors. J Med Chem47:6768-76 (2004) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2C19
Name:Cytochrome P450 2C19
Synonyms:CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Mephenytoin 4-hydroxylase | P450-11A | P450-254C
Type:Enzyme
Mol. Mass.:55935.47
Organism:Homo sapiens (Human)
Description:P33261
Residue:490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKI
YGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFM
ESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVVGRNRSPCMQDRGHMPYTDAVVHEVQRYID
LIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFK
KSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVP
PFYQLCFIPV
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  Blast E-value cutoff:
BDBM50158460
n/a
NameBDBM50158460
Synonyms:(3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone | 2-ethyl-3-(3,5-dibrom-4-hydroxybenzoyl)benzofuran | 3,5-dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketone | Benzbromarone | CHEMBL388590 | US9725430, Compound 1 | US9856239, benzbromarone | US9962362, Compound 1 | Uroleap (TN) | cid_2333
TypeSmall organic molecule
Emp. Form.C17H12Br2O3
Mol. Mass.424.083
SMILESCCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Structure
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