Reaction Details |
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Target | Cytochrome P450 2D6 |
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Ligand | BDBM50174960 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_325677 (CHEMBL863231) |
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IC50 | 4200±n/a nM |
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Citation | Chu, GH; Gu, M; Cassel, JA; Belanger, S; Graczyk, TM; DeHaven, RN; Conway-James, N; Koblish, M; Little, PJ; DeHaven-Hudkins, DL; Dolle, RE Potent and highly selective kappa opioid receptor agonists incorporating chroman- and 2,3-dihydrobenzofuran-based constraints. Bioorg Med Chem Lett15:5114-9 (2005) [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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BDBM50174960 |
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n/a |
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Name | BDBM50174960 |
Synonyms: | CHEMBL197070 | methyl ((R)-2-(((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)(methyl)carbamoyl)chroman-6-yl)methylcarbamate |
Type | Small organic molecule |
Emp. Form. | C26H33N3O5 |
Mol. Mass. | 467.5573 |
SMILES | COC(=O)NCc1ccc2O[C@H](CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 |
Structure |
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