| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2D6 |
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| Ligand | BDBM50056190 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_494879 (CHEMBL949429) |
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| IC50 | 6400±n/a nM |
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| Citation |  O'Neill, PM; Park, BK; Shone, AE; Maggs, JL; Roberts, P; Stocks, PA; Biagini, GA; Bray, PG; Gibbons, P; Berry, N; Winstanley, PA; Mukhtar, A; Bonar-Law, R; Hindley, S; Bambal, RB; Davis, CB; Bates, M; Hart, TK; Gresham, SL; Lawrence, RM; Brigandi, RA; Gomez-delas-Heras, FM; Gargallo, DV; Ward, SA Candidate selection and preclinical evaluation of N-tert-butyl isoquine (GSK369796), an affordable and effective 4-aminoquinoline antimalarial for the 21st century. J Med Chem52:1408-15 (2010) [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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| BDBM50056190 |
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| n/a |
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| Name | BDBM50056190 |
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| Synonyms: | 4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl-phenol | CHEMBL1235 | Desethyl amodiaquine | Monodesethylamodiaquine | N-Monodesethylamodiaquine (Deaq) | bidesethylamodiaquine | desethylamodiaquine |
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| Type | Small organic molecule |
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| Emp. Form. | C18H18ClN3O |
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| Mol. Mass. | 327.808 |
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| SMILES | CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O |
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| Structure | 
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