Reaction Details |
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Target | Cytochrome P450 2D6 |
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Ligand | BDBM84745 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_943618 (CHEMBL2343885) |
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IC50 | 1995±n/a nM |
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Citation | Van Orden, LJ; Van Dyke, PM; Saito, DR; Church, TJ; Chang, R; Smith, JA; Martin, WJ; Jaw-Tsai, S; Stangeland, EL A novel class of 3-(phenoxy-phenyl-methyl)-pyrrolidines as potent and balanced norepinephrine and serotonin reuptake inhibitors: synthesis and structure-activity relationships. Bioorg Med Chem Lett23:1456-61 (2013) [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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BDBM84745 |
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n/a |
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Name | BDBM84745 |
Synonyms: | CAS_136434-34-9 | DULOXETINE | LY-248686 | LY248686 | USRE49340, Rank 5 |
Type | Small organic molecule |
Emp. Form. | C18H19NOS |
Mol. Mass. | 297.415 |
SMILES | CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r| |
Structure |
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