| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50328441 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_665571 (CHEMBL1261455) |
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| IC50 | >5000±n/a nM |
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| Citation |  Micheli, F; Arista, L; Bertani, B; Braggio, S; Capelli, AM; Cremonesi, S; Di-Fabio, R; Gelardi, G; Gentile, G; Marchioro, C; Pasquarello, A; Provera, S; Tedesco, G; Tarsi, L; Terreni, S; Worby, A; Heidbreder, C Exploration of the amine terminus in a novel series of 1,2,4-triazolo-3-yl-azabicyclo[3.1.0]hexanes as selective dopamine D3 receptor antagonists. J Med Chem53:7129-39 (2010) [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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| BDBM50328441 |
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| n/a |
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| Name | BDBM50328441 |
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| Synonyms: | 3-[4-(1,1-Dimethylethyl)phenyl]-8-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-8-azabicyclo-[3.2.1]octane | CHEMBL1257215 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H37N5OS |
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| Mol. Mass. | 479.681 |
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| SMILES | Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2)C(C)(C)C)n1C |r,TLB:13:14:16.17:21.20.19,THB:22:20:16.17:14| |
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| Structure | 
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