Target
Cytochrome P450 2C9
Ligand
BDBM50158460
Substrate
n/a
Meas. Tech.
ChEMBL_430469 (CHEMBL916313)
Ki
19±n/a nM
Citation
 Locuson, CWSuzuki, HRettie, AEJones, JP Charge and substituent effects on affinity and metabolism of benzbromarone-based CYP2C19 inhibitors. J Med Chem 47:6768-76 (2004) [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:
BDBM50158460
Synonyms:
(3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone | 2-ethyl-3-(3,5-dibrom-4-hydroxybenzoyl)benzofuran | 3,5-dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketone | Benzbromarone | CHEMBL388590 | US9725430, Compound 1 | US9856239, benzbromarone | US9962362, Compound 1 | Uroleap (TN) | cid_2333
Type:
Small organic molecule
Emp. Form.:
C17H12Br2O3
Mol. Mass.:
424.083
SMILES:
CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Structure:
Search PDB for entries with ligand similarity: