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TargetCytochrome P450 2C9
LigandBDBM50207463
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1631997
IC50>30000±n/a nM
Citation Wood MRNoetzel MJPoslusney MSMelancon BJTarr JCLamsal AChang SLuscombe VBWeiner RLCho HPBubser MJones CKNiswender CMWood MWEngers DWBrandon NJDuggan MEConn PJBridges TMLindsley CW Challenges in the development of an M Bioorg Med Chem Lett 27:171-175 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2C9
Name:Cytochrome P450 2C9
Synonyms:(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CYPIIC9 | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase
Type:Enzyme
Mol. Mass.:55636.33
Organism:Homo sapiens (Human)
Description:P11712
Residue:490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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  Blast E-value cutoff:
BDBM50207463
n/a
NameBDBM50207463
Synonyms:CHEMBL3963788
TypeSmall organic molecule
Emp. Form.C17H16F2N4O3S2
Mol. Mass.426.461
SMILESCc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)F)c(N)c2c1C
Structure
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