Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50204042 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1625990 (CHEMBL3868459) |
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IC50 | 1000±n/a nM |
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Citation | Wu, WL; Burnett, DA; Clader, J; Greenlee, WJ; Jiang, Q; Hyde, LA; Del Vecchio, RA; Cohen-Williams, ME; Song, L; Lee, J; Terracina, G; Zhang, Q; Nomeir, A; Parker, EM; Zhang, L Design and synthesis of water solubleß-aminosulfone analogues of SCH 900229 as¿-secretase inhibitors. Bioorg Med Chem Lett26:5836-5841 (2016) [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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BDBM50204042 |
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n/a |
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Name | BDBM50204042 |
Synonyms: | CHEMBL3916230 |
Type | Small organic molecule |
Emp. Form. | C24H25ClF2N2O6S2 |
Mol. Mass. | 575.045 |
SMILES | [H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCO[C@H]2CCS(=O)(=O)CC1=NCCN1)S(=O)(=O)c1ccc(Cl)cc1 |r,t:26| |
Structure |
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