Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50330012 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_676065 (CHEMBL1273059) |
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IC50 | 23.8±n/a nM |
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Citation | Li, H; Xu, R; Cole, D; Clader, JW; Greenlee, WJ; Nomeir, AA; Song, L; Zhang, L Design, synthesis, and structure-activity relationship studies of N-arylsulfonyl morpholines as¿-secretase inhibitors. Bioorg Med Chem Lett20:6606-9 (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 |
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: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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BDBM50330012 |
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n/a |
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Name | BDBM50330012 |
Synonyms: | ((3R,5R)-5-tert-butyl-4-(4-chlorophenylsulfonyl)morpholin-3-yl)methyl 4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carboxylate | CHEMBL1271704 |
Type | Small organic molecule |
Emp. Form. | C24H38ClN3O6S |
Mol. Mass. | 532.093 |
SMILES | CC(C)(C)[C@@H]1COC[C@H](COC(=O)N2CCN(CC2)C(C)(C)CO)N1S(=O)(=O)c1ccc(Cl)cc1 |r| |
Structure |
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