Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50261088 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_1695601 |
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IC50 | >20000±n/a nM |
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Citation | Wu, YJ; Guernon, J; McClure, A; Luo, G; Rajamani, R; Ng, A; Easton, A; Newton, A; Bourin, C; Parker, D; Mosure, K; Barnaby, O; Soars, MG; Knox, RJ; Matchett, M; Pieschl, R; Herrington, J; Chen, P; Sivarao, DV; Bristow, LJ; Meanwell, NA; Bronson, J; Olson, R; Thompson, LA; Dzierba, C Discovery of non-zwitterionic aryl sulfonamides as Na Bioorg Med Chem25:5490-5505 (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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BDBM50261088 |
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n/a |
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Name | BDBM50261088 |
Synonyms: | CHEMBL4094490 | US10836758, Example 72 |
Type | Small organic molecule |
Emp. Form. | C16H19ClFN3O3S2 |
Mol. Mass. | 419.922 |
SMILES | Fc1cc(NCCC2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |
Structure |
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