Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM21149
Substrate
BDBM21171
Meas. Tech.
CYP3A4 Enzyme Inhibition Assay
IC50
4300±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
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:
BDBM21149
Synonyms:
4-[5-(benzylsulfanyl)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]pyridine | Pyridine-based ligand, 1
Type:
Small organic molecule
Emp. Form.:
C20H15BrN4S
Mol. Mass.:
423.329
SMILES:
Brc1ccc(cc1)-n1c(SCc2ccccc2)nnc1-c1ccncc1