Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50237525 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1660136 (CHEMBL4009748) |
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IC50 | 6700±n/a nM |
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Citation | Wu, YJ; Guernon, J; Shi, J; Ditta, J; Robbins, KJ; Rajamani, R; Easton, A; Newton, A; Bourin, C; Mosure, K; Soars, MG; Knox, RJ; Matchett, M; Pieschl, RL; Post-Munson, DJ; Wang, S; Herrington, J; Graef, J; Newberry, K; Bristow, LJ; Meanwell, NA; Olson, R; Thompson, LA; Dzierba, C Development of New Benzenesulfonamides As Potent and Selective Na J Med Chem60:2513-2525 (2017) [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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BDBM50237525 |
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n/a |
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Name | BDBM50237525 |
Synonyms: | CHEMBL4078252 | US10836758, Example 2 |
Type | Small organic molecule |
Emp. Form. | C16H20ClFN4O2S2 |
Mol. Mass. | 418.937 |
SMILES | Fc1cc(NCCC2CCCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |
Structure |
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