Reaction Details  Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50258140
Substrate
n/a
Meas. Tech.
ChEMBL_1573392 (CHEMBL3804554)
IC50
600±n/a nM
Citation
 Garcia-Barrantes, PM; Cho, HP; Starr, TM; Blobaum, AL; Niswender, CM; Conn, PJ; Lindsley, CW Re-exploration of the mGlu? PAM Ro 07-11401 scaffold: Discovery of analogs with improved CNS penetration despite steep SAR. Bioorg Med Chem Lett 26:2289-92 (2016) [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:
BDBM50258140
Synonyms:
CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-9H-xanthene-9-carboxamide
Type:
Small organic molecule
Emp. Form.:
C18H11F3N2O3
Mol. Mass.:
360.2867
SMILES:
FC(F)(F)c1coc(NC(=O)C2c3ccccc3Oc3ccccc23)n1
Structure:
Search PDB for entries with ligand similarity: