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TargetCytochrome P450 2C9
LigandBDBM50239717
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1666754 (CHEMBL4016550)
IC50>20000±n/a nM
Citation Liu, QShi, QMarcoux, DBatt, DGCornelius, LQin, LYRuan, ZNeels, JBeaudoin-Bertrand, MSrivastava, ASLi, LCherney, RJGong, HWatterson, SHWeigelt, CGillooly, KMMcIntyre, KWXie, JHObermeier, MTFura, ASleczka, BStefanski, KFancher, RMPadmanabhan, SRp, TKundu, IRajareddy, KSmith, RHennan, JKXing, DFan, JLevesque, PCRuan, QPitt, SZhang, RPedicord, DPan, JYarde, MLu, HLippy, JGoldstine, CSkala, SRampulla, RAMathur, AGupta, AArunachalam, PNSack, JSMuckelbauer, JKCvijic, MESalter-Cid, LMBhide, RSPoss, MAHynes, JCarter, PHMacor, JERuepp, SSchieven, GLTino, JA Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase? (PI3K?) Inhibitor for the Treatment of Immunological Disorders. J Med Chem60:5193-5208 (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 | 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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  Blast E-value cutoff:
BDBM50239717
n/a
NameBDBM50239717
Synonyms:CHEMBL4059848 | US10214537, Example 657
TypeSmall organic molecule
Emp. Form.C25H25F3N8O2
Mol. Mass.526.5136
SMILESCC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
Structure
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