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TargetCytochrome P450 2C9
LigandBDBM50277581
Substrate/Competitorn/a
Meas. Tech.ChEMBL_501339 (CHEMBL1009689)
IC50 990±n/a nM
Citation Shen, HCDing, FXDeng, QWilsie, LCKrsmanovic, MLTaggart, AKCarballo-Jane, ERen, NCai, TQWu, TJWu, KKCheng, KChen, QWolff, MSTong, XHolt, TGWaters, MGHammond, MLTata, JRColletti, SL Discovery of novel tricyclic full agonists for the G-protein-coupled niacin receptor 109A with minimized flushing in rats. J Med Chem52:2587-602 (2009) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50277581
n/a
NameBDBM50277581
Synonyms:2-(3-(7-hydroxynaphtho[2,1-d]isoxazol-3-yl)propanamido)benzoic acid | CHEMBL520299
TypeSmall organic molecule
Emp. Form.C21H16N2O5
Mol. Mass.376.3621
SMILESOC(=O)c1ccccc1NC(=O)CCc1noc2c1ccc1cc(O)ccc21
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: