| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2D6 |
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| Ligand | BDBM50262510 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_514340 (CHEMBL967954) |
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| Ki | 120±n/a nM |
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| Citation |  Shishido, Y; Wakabayashi, H; Koike, H; Ueno, N; Nukui, S; Yamagishi, T; Murata, Y; Naganeo, F; Mizutani, M; Shimada, K; Fujiwara, Y; Sakakibara, A; Suga, O; Kusano, R; Ueda, S; Kanai, Y; Tsuchiya, M; Satake, K Discovery and stereoselective synthesis of the novel isochroman neurokinin-1 receptor antagonist 'CJ-17,493'. Bioorg Med Chem16:7193-205 (2008) [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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| BDBM50262510 |
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| n/a |
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| Name | BDBM50262510 |
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| Synonyms: | CHEMBL477365 | R/S-(2S,3S)-3-[((6-Methoxy-1-methyl-1-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene)-7-yl)]methylamino-2-phenylpiperidine | R/S-(2S,3S)-N-((3-methoxy-8-methyl-8-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-yl)methyl)-2-phenylpiperidin-3-amine |
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| Type | Small organic molecule |
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| Emp. Form. | C25H31F3N2O |
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| Mol. Mass. | 432.5216 |
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| SMILES | COc1cc2CCCC(C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F |r| |
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| Structure | 
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