Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50166305
Substrate
n/a
Meas. Tech.
ChEMBL_305064 (CHEMBL832696)
IC50
50±n/a nM
Citation
 Liu, K; Black, RM; Acton, JJ; Mosley, R; Debenham, S; Abola, R; Yang, M; Tschirret-Guth, R; Colwell, L; Liu, C; Wu, M; Wang, CF; MacNaul, KL; McCann, ME; Moller, DE; Berger, JP; Meinke, PT; Jones, AB; Wood, HB Selective PPARgamma modulators with improved pharmacological profiles. Bioorg Med Chem Lett 15:2437-40 (2005) [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:
BDBM50166305
Synonyms:
(S)-2-[3-(2-Methyl-5-trifluoromethoxy-1H-indol-3-ylmethyl)-phenoxy]-propionic acid | CHEMBL189785
Type:
Small organic molecule
Emp. Form.:
C20H18F3NO4
Mol. Mass.:
393.3564
SMILES:
C[C@H](Oc1cccc(Cc2c(C)[nH]c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: