Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM7460
Substrate
n/a
Meas. Tech.
ChEMBL_51556 (CHEMBL661229)
Ki
27000±n/a nM
Citation
Afzelius, L; Zamora, I; Masimirembwa, CM; Karlén, A; Andersson, TB; Mecucci, S; Baroni, M; Cruciani, G Conformer- and alignment-independent model for predicting structurally diverse competitive CYP2C9 inhibitors. J Med Chem 47:907-14 (2004) [PubMed] Article
More Info.:
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:
BDBM7460
Synonyms:
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone;hydrate | CHEMBL50 | Quercetin | Quercetin (10) | Quercetin (21) | Quercetin (Qur) | US11021454, Compound Quercetin | US9180183, Quercetin | med.21724, Compound 4
Type:
Small organic molecule
Emp. Form.:
C15H10O7
Mol. Mass.:
302.2357
SMILES:
Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O