| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50391278 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2264099 |
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| IC50 | 26700±n/a nM |
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| Citation |  Nirogi, R; Mohammed, AR; Shinde, AK; Gagginapally, SR; Kancharla, DM; Ravella, SR; Bogaraju, N; Middekadi, VR; Subramanian, R; Palacharla, RC; Benade, V; Muddana, N; Abraham, R; Medapati, RB; Thentu, JB; Mekala, VR; Petlu, S; Lingavarapu, BB; Yarra, S; Kagita, N; Goyal, VK; Pandey, SK; Jasti, V Discovery and Preclinical Characterization of Usmarapride (SUVN-D4010): A Potent, Selective 5-HT J Med Chem64:10641-10665 (2021) [PubMed] |
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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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| BDBM50391278 |
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| n/a |
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| Name | BDBM50391278 |
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| Synonyms: | CHEMBL5274204 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H40N4O9 |
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| Mol. Mass. | 576.6386 |
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| SMILES | OC(C(O)C(O)=O)C(O)=O.CC(C)n1nc(C(=O)NC2CC3CCC(C2)N3CC2(O)CCOCC2)c2ccccc12 |
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| Structure | 
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