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Target
Cytochrome P450 3A4
Ligand
BDBM50166852
Substrate
n/a
Meas. Tech.
ChEMBL_1572816 (CHEMBL3800746)
IC50
1100±n/a nM
Citation
 Fabritius, CH; Pesonen, U; Messinger, J; Horvath, R; Salo, H; Galezowski, M; Galek, M; Stefanska, K; Szeremeta-Spisak, J; Olszak-Plachta, M; Buda, A; Adamczyk, J; Król, M; Prusis, P; Sieprawska-Lupa, M; Mikulski, M; Kuokkanen, K; Chapman, H; Obuchowicz, R; Korjamo, T; Jalava, N; Nowak, M 1-Sulfonyl-6-Piperazinyl-7-Azaindoles as potent and pseudo-selective 5-HT6 receptor antagonists. Bioorg Med Chem Lett 26:2610-5 (2016) [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:
BDBM50166852
Synonyms:
CHEMBL3797717
Type:
Small organic molecule
Emp. Form.:
C23H27F3N4O2S
Mol. Mass.:
480.546
SMILES:
CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F
Structure:
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