Reaction Details |
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Target | Histone deacetylase 1 |
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Ligand | BDBM50117090 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_827136 (CHEMBL2050420) |
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IC50 | 45±n/a nM |
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Citation | Baud, MG; Leiser, T; Haus, P; Samlal, S; Wong, AC; Wood, RJ; Petrucci, V; Gunaratnam, M; Hughes, SM; Buluwela, L; Turlais, F; Neidle, S; Meyer-Almes, FJ; White, AJ; Fuchter, MJ Defining the mechanism of action and enzymatic selectivity of psammaplin A against its epigenetic targets. J Med Chem55:1731-50 (2012) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Histone deacetylase 1 |
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Name: | Histone deacetylase 1 |
Synonyms: | Cereblon/Histone deacetylase 1 | HD1 | HDAC1 | HDAC1_HUMAN | Histone deacetylase 1 (HDAC1) | Human HDAC1 | RPD3L1 |
Type: | Enzyme |
Mol. Mass.: | 55090.27 |
Organism: | Homo sapiens (Human) |
Description: | Q13547 |
Residue: | 482 |
Sequence: | MAQTQGTRRKVCYYYDGDVGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKAN
AEEMTKYHSDDYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVAS
AVKLNKQQTDIAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHG
DGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNYPLRDGIDDESYEAI
FKPVMSKVMEMFQPSAVVLQCGSDSLSGDRLGCFNLTIKGHAKCVEFVKSFNLPMLMLGG
GGYTIRNVARCWTYETAVALDTEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTNEYLE
KIKQRLFENLRMLPHAPGVQMQAIPEDAIPEESGDEDEDDPDKRISICSSDKRIACEEEF
SDSEEEGEGGRKNSSNFKKAKRVKTEDEKEKDPEEKKEVTEEEKTKEEKPEAKGVKEEVK
LA
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BDBM50117090 |
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n/a |
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Name | BDBM50117090 |
Synonyms: | (E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-N-(2-{2-[3-(3-bromo-4-hydroxy-phenyl)-2-hydroxyimino-propionylamino]-ethyldisulfanyl}-ethyl)-2-[(E)-hydroxyimino]-propionamide | 3-(3-Bromo-4-hydroxy-phenyl)-N-(2-{2-[3-(3-bromo-4-hydroxy-phenyl)-2-hydroxyimino-propionylamino]-ethyldisulfanyl}-ethyl)-2-hydroxyimino-propionamide | 3-(3-Bromo-4-hydroxy-phenyl)-N-[2-(2-{3-(3-bromo-4-hydroxy-phenyl)-2-[(E)-hydroxyimino]-propionylamino}-ethyldisulfanyl)-ethyl]-2-[(E)-hydroxyimino]-propionamide | 3-(3-bromo-4-hydroxy-phenyl)-N-[2-(2-{3-(3-bromo-4-hydroxy-phenyl)-2-[hydroxyimino]-propionylamino}-ethyldisulfanyl)-ethyl]-2-[hydroxyimino]-propionamide | CHEMBL83747 | Psammaplin A |
Type | Small organic molecule |
Emp. Form. | C22H24Br2N4O6S2 |
Mol. Mass. | 664.387 |
SMILES | Oc1ccc(CC(N=O)C(=O)NCCSSCCNC(=O)C(Cc2ccc(O)c(Br)c2)N=O)cc1Br |
Structure |
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