| Reaction Details |
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 | Report a problem with these data |
| Target | Histone deacetylase |
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| Ligand | BDBM50048864 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1750439 (CHEMBL4185199) |
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| IC50 | 0.900000±n/a nM |
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| Citation |  Hailu, GS; Robaa, D; Forgione, M; Sippl, W; Rotili, D; Mai, A Lysine Deacetylase Inhibitors in Parasites: Past, Present, and Future Perspectives. J Med Chem60:4780-4804 (2017) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Histone deacetylase |
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| Name: | Histone deacetylase |
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| Synonyms: | Histone Deacetylase (pfHDAC-1) |
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| Type: | Enzyme |
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| Mol. Mass.: | 51371.91 |
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| Organism: | Plasmodium falciparum (isolate 3D7) |
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| Description: | Assays were performed using recombinant pfHDAC-1 expressed and purified from S2 insect cells. |
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| Residue: | 449 |
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| Sequence: | MSNRKKVAYFHDPDIGSYYYGAGHPMKPQRIRMTHSLIVSYNLYKYMEVYRPHKSDVNEL
TLFHDYEYIDFLSSISLENYREFTYQLKRFNVGEATDCPVFDGLFQFQQSCAGASIDGAS
KLNHHCADICVNWSGGLHHAKMSEASGFCYINDIVLGILELLKYHARVMYIDIDVHHGDG
VEEAFYVTHRVMTVSFHKFGDYFPGTGDITDVGVNHGKYYSVNVPLNDGMTDDAFVDLFK
VVIDKCVQTYRPGAIIIQCGADSLTGDRLGRFNLTIKGHARCVEHVRSYNIPLLVLGGGG
YTIRNVSRCWAYETGVVLNKHHEMPDQISLNDYYDYYAPDFQLHLQPSNIPNYNSPEHLS
RIKMKIAENLRHIEHAPGVQFSYVPPDFFNSDIDDESDKNQYELKDDSGGGRAPGTRAKE
HSTTHHLRRKNYDDDFFDLSDRDQSIVPY
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| BDBM50048864 |
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| n/a |
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| Name | BDBM50048864 |
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| Synonyms: | CHEMBL3310505 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H36N4O6S2 |
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| Mol. Mass. | 540.696 |
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| SMILES | [H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2 |r,t:20| |
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| Structure | 
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