Reaction Details |
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Target | Cytochrome P450 2D6 |
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Ligand | BDBM50067935 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_514340 (CHEMBL967954) |
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Ki | 20±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 |
Synonyms: | CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1 |
Type: | Protein |
Mol. Mass.: | 55774.82 |
Organism: | Homo sapiens (Human) |
Description: | P10635 |
Residue: | 497 |
Sequence: | MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
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BDBM50067935 |
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n/a |
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Name | BDBM50067935 |
Synonyms: | (2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine | (2S,3S)-N-(2-methoxy-5-(trifluoromethoxy)benzyl)-2-phenylpiperidin-3-amine | CHEMBL319118 | CP-122721 |
Type | Small organic molecule |
Emp. Form. | C20H23F3N2O2 |
Mol. Mass. | 380.404 |
SMILES | COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 |r| |
Structure |
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