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Target
Cytochrome P450 2C9
Ligand
BDBM50101976
Substrate
n/a
Meas. Tech.
ChEMBL_1485117 (CHEMBL3540468)
Ki
6800±n/a nM
Citation
 Yasuda, K; Ikushiro, S; Wakayama, S; Itoh, T; Yamamoto, K; Kamakura, M; Munetsuna, E; Ohta, M; Sakaki, T Comparison of metabolism of sesamin and episesamin by drug-metabolizing enzymes in human liver. Drug Metab Dispos 40:1917-26 (2012) [PubMed]  Article 
Target
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:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50101976
Synonyms:
ASARININ | Episesamin
Type:
Small organic molecule
Emp. Form.:
C20H18O6
Mol. Mass.:
354.3533
SMILES:
[H][C@]12CO[C@H](c3ccc4OCOc4c3)[C@@]1([H])CO[C@H]2c1ccc2OCOc2c1
Structure:
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