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Target
Cytochrome P450 2C9
Ligand
BDBM50067044
Substrate
n/a
Meas. Tech.
ChEMBL_497351 (CHEMBL999390)
IC50
1800±n/a nM
Citation
 Appiah-Opong, R; de Esch, I; Commandeur, JN; Andarini, M; Vermeulen, NP Structure-activity relationships for the inhibition of recombinant human cytochromes P450 by curcumin analogues. Eur J Med Chem 43:1621-31 (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:
BDBM50067044
Synonyms:
(1E,4E)-1,5-Bis-(4-hydroxy-phenyl)-penta-1,4-dien-3-one | (1E,4E)-1,5-bis(4-hydroxyphenyl)penta-1,4-dien-3-one | 1,5-Bis(4-hydroxyphenyl)penta-1,4-dien-3-one | 1,5-Bis-(4-hydroxy-phenyl)-penta-1,4-dien-3-one | CHEMBL129134
Type:
Small organic molecule
Emp. Form.:
C17H14O3
Mol. Mass.:
266.2913
SMILES:
Oc1ccc(\C=C\C(=O)\C=C\c2ccc(O)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: