Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50125274 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_52064 |
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IC50 | 29000±n/a nM |
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Citation | Blackie, JA; Bloomer, JC; Brown, MJ; Cheng, HY; Hammond, B; Hickey, DM; Ife, RJ; Leach, CA; Lewis, VA; Macphee, CH; Milliner, KJ; Moores, KE; Pinto, IL; Smith, SA; Stansfield, IG; Stanway, SJ; Taylor, MA; Theobald, CJ The identification of clinical candidate SB-480848: a potent inhibitor of lipoprotein-associated phospholipase A2. Bioorg Med Chem Lett13:1067-70 (2003) [PubMed] |
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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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BDBM50125274 |
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n/a |
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Name | BDBM50125274 |
Synonyms: | 2-[5-Chloro-2-(4-fluoro-benzylsulfanyl)-4-oxo-4H-pyrimidin-1-yl]-N-(2-diethylamino-ethyl)-N-(4'-trifluoromethyl-biphenyl-4-ylmethyl)-acetamide | CHEMBL10769 |
Type | Small organic molecule |
Emp. Form. | C33H33ClF4N4O2S |
Mol. Mass. | 661.152 |
SMILES | CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cl)c(=O)nc1SCc1ccc(F)cc1 |
Structure |
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