Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50054052 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1456481 (CHEMBL3369164) |
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IC50 | 27000±n/a nM |
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Citation | Hong, FT; Norman, MH; Ashton, KS; Bartberger, MD; Chen, J; Chmait, S; Cupples, R; Fotsch, C; Jordan, SR; Lloyd, DJ; Sivits, G; Tadesse, S; Hale, C; St Jean, DJ Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 4. Exploration of a novel binding pocket. J Med Chem57:5949-64 (2014) [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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BDBM50054052 |
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n/a |
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Name | BDBM50054052 |
Synonyms: | CHEMBL3319549 |
Type | Small organic molecule |
Emp. Form. | C22H20F6N6O3S |
Mol. Mass. | 562.488 |
SMILES | Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1cccnc1)C(O)(C(F)(F)F)C(F)(F)F |
Structure |
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