| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50427173 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_938173 (CHEMBL2328374) |
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| IC50 | >10000±n/a nM |
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| Citation |  Cioffi, CL; Wolf, MA; Guzzo, PR; Sadalapure, K; Parthasarathy, V; Dethe, D; Maeng, JH; Carulli, E; Loong, DT; Fang, X; Hu, M; Gupta, P; Chung, M; Bai, M; Moore, N; Luche, M; Khmelnitsky, Y; Love, PL; Watson, MA; Mhyre, AJ; Liu, S Design, synthesis, and SAR of N-((1-(4-(propylsulfonyl)piperazin-1-yl)cycloalkyl)methyl)benzamide inhibitors of glycine transporter-1. Bioorg Med Chem Lett23:1257-61 (2013) [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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| BDBM50427173 |
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| n/a |
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| Name | BDBM50427173 |
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| Synonyms: | CHEMBL2324491 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H29F4N3O3S |
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| Mol. Mass. | 479.532 |
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| SMILES | CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(F)cccc2F)CCC(F)(F)CC1 |
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| Structure | 
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