Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM249466
Substrate
n/a
Meas. Tech.
ChEMBL_1805931 (CHEMBL4305290)
IC50
11000±n/a nM
Citation
 Cioffi, CL; Racz, B; Varadi, A; Freeman, EE; Conlon, MP; Chen, P; Zhu, L; Kitchen, DB; Barnes, KD; Martin, WH; Pearson, PG; Johnson, G; Blaner, WS; Petrukhin, K Design, Synthesis, and Preclinical Efficacy of Novel Nonretinoid Antagonists of Retinol-Binding Protein 4 in the Mouse Model of Hepatic Steatosis. J Med Chem 62:5470-5500 (2019) [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:
BDBM249466
Synonyms:
US10072016, Compound 65 | US10407433, Compound 65 | US10913746, Compound 65 | US11649240, Compound 65 | US9434727, 65 | US9777010, Compound 65
Type:
Small organic molecule
Emp. Form.:
C20H15F4N5O
Mol. Mass.:
417.3596
SMILES:
Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: