| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50175297 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1581098 (CHEMBL3813396) |
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| IC50 | >30000±n/a nM |
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| Citation |  Fader, L; Brault, M; Desjardins, J; Dansereau, N; Lamorte, L; Tremblay, S; Bilodeau, F; Bordeleau, J; Duplessis, M; Gorys, V; Gillard, J; Gleason, JL; James, C; Joly, MA; Kuhn, C; Llinas-Brunet, M; Luo, L; Morency, L; Morin, S; Parisien, M; Poirier, M; Thibeault, C; Trinh, T; Sturino, C; Srivastava, S; Yoakim, C; Franti, M Discovery of Potent, Orally Bioavailable Inhibitors of Human Cytomegalovirus. ACS Med Chem Lett7:525-30 (2016) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 3A4 |
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| Name: | Cytochrome P450 3A4 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 57349.57 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 503 |
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| Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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| BDBM50175297 |
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| n/a |
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| Name | BDBM50175297 |
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| Synonyms: | CHEMBL3810245 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H16F3N5O2S |
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| Mol. Mass. | 459.444 |
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| SMILES | CC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F |
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| Structure | 
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