| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2D6 |
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| Ligand | BDBM50301847 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_598209 (CHEMBL1047871) |
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| IC50 | >5000±n/a nM |
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| Citation |  Martyn, DC; Beletsky, G; Cortese, JF; Tyndall, E; Liu, H; Fitzgerald, MM; O'Shea, TJ; Liang, B; Clardy, J Synthesis and in vitro DMPK profiling of a 1,2-dioxolane-based library with activity against Plasmodium falciparum. Bioorg Med Chem Lett19:5657-60 (2009) [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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| BDBM50301847 |
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| n/a |
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| Name | BDBM50301847 |
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| Synonyms: | CHEMBL565360 | N-(2-(2-(hydroxymethyl)phenylthio)benzyl)-2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)acetamide |
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| Type | Small organic molecule |
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| Emp. Form. | C25H31NO4S |
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| Mol. Mass. | 441.583 |
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| SMILES | CC1(CC(=O)NCc2ccccc2Sc2ccccc2CO)CC2(CCCCC2)OO1 |
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| Structure | 
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