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Target
Cytochrome P450 3A4
Ligand
BDBM50263615
Substrate
n/a
Meas. Tech.
ChEMBL_536049 (CHEMBL991619)
IC50
20000±n/a nM
Citation
 Trani, G; Baddeley, SM; Briggs, MA; Chuang, TT; Deeks, NJ; Johnson, CN; Khazragi, AA; Mead, TL; Medhurst, AD; Milner, PH; Quinn, LP; Ray, AM; Rivers, DA; Stean, TO; Stemp, G; Trail, BK; Witty, DR Tricyclic azepine derivatives as selective brain penetrant 5-HT6 receptor antagonists. Bioorg Med Chem Lett 18:5698-700 (2008) [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:
BDBM50263615
Synonyms:
3-chloro-1-(3-chlorophenylsulfonyl)-1,5,6,7,8,9-hexahydroazepino[4,5-f]indole | CHEMBL478870
Type:
Small organic molecule
Emp. Form.:
C18H16Cl2N2O2S
Mol. Mass.:
395.303
SMILES:
Clc1cn(c2cc3CCNCCc3cc12)S(=O)(=O)c1cccc(Cl)c1
Structure:
Search PDB for entries with ligand similarity: