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Target
Cytochrome P450 3A4
Ligand
BDBM50308251
Substrate
n/a
Meas. Tech.
ChEMBL_613752 (CHEMBL1068899)
IC50
>9000±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 3A4
Synonyms:
Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase
Type:
Enzyme
Mol. Mass.:
57349.57
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
503
Sequence:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
Name:
BDBM50308251
Synonyms:
(1S,5S,6S)-1-(3,4-Dichlorophenyl)-6-[(ethyloxy)methyl]-3-azabicyclo-[3.1.0]hexane | (1S,5S,6S)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)-3-azabicyclo[3.1.0]hexane | CHEMBL608151 | exo-rac-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)-3-azabicyclo[3.1.0]hexane
Type:
Small organic molecule
Emp. Form.:
C14H17Cl2NO
Mol. Mass.:
286.197
SMILES:
CCOC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1 |r|
Structure:
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