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Target
Cytochrome P450 2C9
Ligand
BDBM50308245
Substrate
n/a
Meas. Tech.
ChEMBL_613749 (CHEMBL1068896)
IC50
>10000±n/a nM
Citation
 Micheli, F; Cavanni, P; Arban, R; Benedetti, R; Bertani, B; Bettati, M; Bettelini, L; Bonanomi, G; Braggio, S; Checchia, A; Davalli, S; Di Fabio, R; Fazzolari, E; Fontana, S; Marchioro, C; Minick, D; Negri, M; Oliosi, B; Read, KD; Sartori, I; Tedesco, G; Tarsi, L; Terreni, S; Visentini, F; Zocchi, A; Zonzini, L 1-(Aryl)-6-[alkoxyalkyl]-3-azabicyclo[3.1.0]hexanes and 6-(aryl)-6-[alkoxyalkyl]-3-azabicyclo[3.1.0]hexanes: a new series of potent and selective triple reuptake inhibitors. J Med Chem 53:2534-51 (2010) [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:
BDBM50308245
Synonyms:
CHEMBL590472 | exo-6-[(Cyclobutyloxy)methyl]-6-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane
Type:
Small organic molecule
Emp. Form.:
C16H19Cl2NO
Mol. Mass.:
312.234
SMILES:
Clc1ccc(cc1Cl)[C@]1(COC2CCC2)[C@H]2CNC[C@@H]12 |r|
Structure:
Search PDB for entries with ligand similarity: