Reaction Details Report a problem with these data
Target
Cytochrome P450 2C19
Ligand
BDBM50308249
Substrate
n/a
Meas. Tech.
ChEMBL_613750 (CHEMBL1068897)
IC50
>8000±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 2C19
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | (S)-limonene 7-monooxygenase | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Cytochrome P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | Mephenytoin 4-hydroxylase | P450-11A | P450-254C
Type:
Enzyme
Mol. Mass.:
55935.47
Organism:
Homo sapiens (Human)
Description:
P33261
Residue:
490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50308249
Synonyms:
CHEMBL605209 | exo-1-(3,4-Dichlorophenyl)-6-{[(1-methylethyl)oxy]methyl}-3-azabicyclo[3.1.0]hexane
Type:
Small organic molecule
Emp. Form.:
C15H19Cl2NO
Mol. Mass.:
300.223
SMILES:
CC(C)OC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
Structure:
Search PDB for entries with ligand similarity: