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Target
Cytochrome P450 2C9
Ligand
BDBM50263726
Substrate
n/a
Meas. Tech.
ChEMBL_536101 (CHEMBL995047)
IC50
>50000±n/a nM
Citation
 Jolidon, S; Alberati, D; Dowle, A; Fischer, H; Hainzl, D; Narquizian, R; Norcross, R; Pinard, E Design, synthesis and structure-activity relationship of simple bis-amides as potent inhibitors of GlyT1. Bioorg Med Chem Lett 18:5533-6 (2008) [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:
BDBM50263726
Synonyms:
4-Fluoro-N-{[(5-methyl-6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-ylmethyl)-carbamoyl]-methyl}-benzamide | CHEMBL490609
Type:
Small organic molecule
Emp. Form.:
C25H22FN3O3
Mol. Mass.:
431.4589
SMILES:
CN1c2ccccc2C(CNC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc2C1=O
Structure:
Search PDB for entries with ligand similarity: