Reaction Details |
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Target | Cytochrome P450 2D6 |
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Ligand | BDBM50022784 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_558436 (CHEMBL963842) |
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IC50 | 2000±n/a nM |
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Citation | Pontillo, J; Wu, D; Ching, B; Hudson, S; Genicot, MJ; Gao, Y; Ewing, T; Fleck, BA; Gogas, K; Aparicio, A; Wang, H; Wen, J; Wade, WS Synthesis and structure-activity relationships of selective norepinephrine reuptake inhibitors (sNRI) with improved pharmaceutical characteristics. Bioorg Med Chem Lett18:6151-5 (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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BDBM50022784 |
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n/a |
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Name | BDBM50022784 |
Synonyms: | (R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine | ATOMOXETINE | CHEMBL641 | Methyl-((R)-3-phenyl-3-o-tolyloxy-propyl)-amine | Methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine | Methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine(tomoxetine) | Strattera | Tomoxetine |
Type | Small organic molecule |
Emp. Form. | C17H21NO |
Mol. Mass. | 255.3547 |
SMILES | CNCCC(Oc1ccccc1C)c1ccccc1 |
Structure |
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