| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50364326 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_804652 (CHEMBL1953174) |
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| IC50 | >5900±n/a nM |
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| Citation |  Tripathy, R; McHugh, RJ; Bacon, ER; Salvino, JM; Morton, GC; Aimone, LD; Huang, Z; Mathiasen, JR; DiCamillo, A; Huffman, MJ; McKenna, BA; Kopec, K; Lu, LD; Qian, J; Angeles, TS; Connors, T; Spais, C; Holskin, B; Duzic, E; Schaffhauser, H; Rossé, GC Discovery of 7-arylsulfonyl-1,2,3,4, 4a,9a-hexahydro-benzo[4,5]furo[2,3-c]pyridines: identification of a potent and selective 5-HT6 receptor antagonist showing activity in rat social recognition test. Bioorg Med Chem Lett22:1421-6 (2012) [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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| BDBM50364326 |
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| n/a |
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| Name | BDBM50364326 |
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| Synonyms: | CHEMBL1949930 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H25NO5S |
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| Mol. Mass. | 403.492 |
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| SMILES | COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| |
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| Structure | 
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