| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50235297 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1655303 (CHEMBL4004669) |
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| IC50 | 81900±n/a nM |
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| Citation |  Metcalf, B; Chuang, C; Dufu, K; Patel, MP; Silva-Garcia, A; Johnson, C; Lu, Q; Partridge, JR; Patskovska, L; Patskovsky, Y; Almo, SC; Jacobson, MP; Hua, L; Xu, Q; Gwaltney, SL; Yee, C; Harris, J; Morgan, BP; James, J; Xu, D; Hutchaleelaha, A; Paulvannan, K; Oksenberg, D; Li, Z Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin. ACS Med Chem Lett8:321-326 (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 |
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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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| BDBM50235297 |
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| n/a |
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| Name | BDBM50235297 |
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| Synonyms: | CHEMBL4101807 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H19N3O3 |
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| Mol. Mass. | 337.3725 |
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| SMILES | CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O |
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| Structure | 
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