| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2D6 |
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| Ligand | BDBM50591456 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2200576 (CHEMBL5113092) |
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| IC50 | >10000±n/a nM |
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| Citation |  Orsi, DL; Pook, E; Bräuer, N; Friberg, A; Lienau, P; Lemke, CT; Stellfeld, T; Brüggemeier, U; Pütter, V; Meyer, H; Baco, M; Tang, S; Cherniack, AD; Westlake, L; Bender, SA; Kocak, M; Strathdee, CA; Meyerson, M; Eis, K; Goldstein, JT Discovery and Structure-Based Design of Potent Covalent PPAR? Inverse-Agonists J Med Chem65:14843-14863 (2022) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2D6 |
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| Name: | Cytochrome P450 2D6 |
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| Synonyms: | CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1 |
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| Type: | Protein |
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| Mol. Mass.: | 55774.82 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P10635 |
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| Residue: | 497 |
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| Sequence: | MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
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| BDBM50591456 |
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| n/a |
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| Name | BDBM50591456 |
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| Synonyms: | CHEMBL5207130 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H16ClN3O4 |
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| Mol. Mass. | 421.833 |
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| SMILES | CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1 |
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| Structure | 
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