| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A7 |
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| Ligand | BDBM50584760 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2160657 (CHEMBL5045407) |
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| IC50 | 64780±n/a nM |
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| Citation |  Tu, D; Ning, J; Zou, L; Wang, P; Zhang, Y; Tian, X; Zhang, F; Zheng, J; Ge, G Unique Oxidative Metabolism of Bufalin Generates Two Reactive Metabolites That Strongly Inactivate Human Cytochrome P450 3A. J Med Chem65:4018-4029 (2022) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 3A7 |
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| Name: | Cytochrome P450 3A7 |
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| Synonyms: | 1.14.14.1 | CP3A7_HUMAN | CYP3A7 | CYPIIIA7 | Cytochrome P450 3A7 | Cytochrome P450-HFLA | P450HLp2 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 57485.39 |
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| Organism: | Homo sapiens |
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| Description: | ChEMBL_109496 |
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| Residue: | 503 |
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| Sequence: | MDLIPNLAVETWLLLAVSLILLYLYGTRTHGLFKKLGIPGPTPLPFLGNALSFRKGYWTF
DMECYKKYRKVWGIYDCQQPMLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKNAISI
AEDEEWKRIRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKHVFGAYS
MDVITSTSFGVSIDSLNNPQDPFVENTKKLLRFNPLDPFVLSIKVFPFLTPILEALNITV
FPRKVISFLTKSVKQIKEGRLKETQKHRVDFLQLMIDSQNSKDSETHKALSDLELMAQSI
IFIFAGYETTSSVLSFIIYELATHPDVQQKVQKEIDTVLPNKAPPTYDTVLQLEYLDMVV
NETLRLFPVAMRLERVCKKDVEINGMFIPKGVVVMIPSYVLHHDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALVNMKLALVRVLQNFSFKPCKETQIPLKLRFG
GLLLTEKPIVLKAESRDETVSGA
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| BDBM50584760 |
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| n/a |
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| Name | BDBM50584760 |
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| Synonyms: | CHEMBL2068968 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H32O4 |
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| Mol. Mass. | 384.5085 |
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| SMILES | [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CCC(=O)C2 |
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| Structure | 
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