Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50251022
Substrate
n/a
Meas. Tech.
ChEMBL_529685 (CHEMBL972103)
Ki
4.2±n/a nM
Citation
 Peng, CC; Rushmore, T; Crouch, GJ; Jones, JP Modeling and synthesis of novel tight-binding inhibitors of cytochrome P450 2C9. Bioorg Med Chem 16:4064-74 (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:
BDBM50251022
Synonyms:
3-(4-hydroxy-3,5-diiodobenzoyl)-2-propyl-4H-chromen-4-one | CHEMBL456432
Type:
Small organic molecule
Emp. Form.:
C19H14I2O4
Mol. Mass.:
560.121
SMILES:
CCCc1oc2ccccc2c(=O)c1C(=O)c1cc(I)c(O)c(I)c1
Structure:
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