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TargetCytochrome P450 2C9
LigandBDBM50177015
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1582653 (CHEMBL3817094)
IC50 610±n/a nM
Citation Zheng, YZhuang, LFan, KYTice, CMZhao, WDong, CLotesta, SDLeftheris, KLindblom, PRLiu, ZShimada, JNoto, PBMeng, SHardy, AHoward, LKrosky, PGuo, JLipinski, KKandpal, GBukhtiyarov, YZhao, YLala, DVan Orden, RZhou, JChen, GWu, ZMcKeever, BMMcGeehan, GMGregg, REClaremon, DASingh, SB Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR)ß Agonist. J Med Chem59:3264-71 (2016) [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 | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | 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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BDBM50177015
n/a
NameBDBM50177015
Synonyms:CHEMBL3814206 | US10144715, Compound 19-1
TypeSmall organic molecule
Emp. Form.C21H27F3N4O4S
Mol. Mass.488.524
SMILESCC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r|
Structure
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