Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM21153
Substrate
BDBM21171
Meas. Tech.
CYP3A4 Enzyme Inhibition Assay
IC50
11000±n/a nM
Citation
 Ahlström, MM; Zamora, I Characterization of Type II Ligands in CYP2C9 and CYP3A4. J Med Chem 51:1755-1763 (2008) [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:
BDBM21153
Synonyms:
Isoxazole-based ligand, 4 | ethyl 3-(2,4-dichlorophenyl)-2-(1,2-oxazol-5-yl)propanoate
Type:
Small organic molecule
Emp. Form.:
C14H13Cl2NO3
Mol. Mass.:
314.164
SMILES:
CCOC(=O)C(Cc1ccc(Cl)cc1Cl)c1ccno1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM21171
Synonyms:
7-methoxy-4-(trifluoromethyl)-2H-chromen-2-one | 7-methoxy-4-trifluoromethylcoumarin | MFC
Type:
Small organic molecule
Emp. Form.:
C11H7F3O3
Mol. Mass.:
244.1667
SMILES:
COc1ccc2c(cc(=O)oc2c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: