Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50391283 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2264099 |
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IC50 | >45000±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 |
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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BDBM50391283 |
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n/a |
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Name | BDBM50391283 |
Synonyms: | CHEMBL5268064 |
Type | Small organic molecule |
Emp. Form. | C22H29N5O6 |
Mol. Mass. | 459.4956 |
SMILES | OC(=O)C(O)=O.CC(C)n1nc(-c2nnc(o2)C2CCN(CCCO)CC2)c2ccccc12 |
Structure |
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