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TargetCytochrome P450 2C9
LigandBDBM50175297
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1581103
IC50 31±n/a nM
Citation Fader LBrault MDesjardins JDansereau NLamorte LTremblay SBilodeau FBordeleau JDuplessis MGorys VGillard JGleason JLJames CJoly MAKuhn CLlinas-Brunet MLuo LMorency LMorin SParisien MPoirier MThibeault CTrinh TSturino CSrivastava SYoakim CFranti M Discovery of Potent, Orally Bioavailable Inhibitors of Human Cytomegalovirus. ACS Med Chem Lett 7:525-30 (2016) [PubMed]
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:
BDBM50175297
n/a
NameBDBM50175297
Synonyms:CHEMBL3810245
TypeSmall organic molecule
Emp. Form.C21H16F3N5O2S
Mol. Mass.459.444
SMILESCC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F
Structure
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