Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50057568
Substrate
n/a
Meas. Tech.
ChEMBL_450437 (CHEMBL899614)
IC50
17000±n/a nM
Citation
 Ahlström, MM; Ridderström, M; Zamora, I CYP2C9 structure-metabolism relationships: substrates, inhibitors, and metabolites. J Med Chem 50:5382-91 (2007) [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:
BDBM50057568
Synonyms:
4-(3-(trifluoromethyl)-5-(4-(trifluoromethyl)phenyl)-1H-pyrazol-1-yl)benzenesulfonamide | 4-[3-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazol-1-yl]-benzenesulfonamide | 4-[5-(4-trifluoromethylphenyl)-3-trifluoromethyl-1H-pyrazol-1-yl]-benzenesulfonamide | CHEMBL285831
Type:
Small organic molecule
Emp. Form.:
C17H11F6N3O2S
Mol. Mass.:
435.344
SMILES:
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: