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TargetHistone deacetylase 1
LigandBDBM50568212
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2104800 (CHEMBL4813303)
IC50 24±n/a nM
Citation Yu, WFells, JClausen, DLiu, JKlein, DJChristine Chung, CMyers, RWWu, JWu, GHowell, BJBarnard, RJOKozlowski, J Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg Med Chem Lett47:0 (2021) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Histone deacetylase 1
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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  Blast E-value cutoff:
BDBM50568212
n/a
NameBDBM50568212
Synonyms:CHEMBL4860990
TypeSmall organic molecule
Emp. Form.C34H44N4O4
Mol. Mass.572.7376
SMILESCCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCCOc2ccc3cc(ccc3n2)-c2cnc1o2 |r,wU:13.12,wD:9.8,(79.6,-58.13,;78.2,-57.48,;76.96,-58.37,;77.1,-59.91,;75.56,-57.74,;74.31,-58.63,;72.91,-57.99,;71.65,-58.87,;70.27,-58.24,;69.01,-59.13,;69.15,-60.65,;70.55,-61.31,;71.8,-60.41,;70.7,-62.82,;71.59,-64.07,;70.06,-64.21,;68.68,-63.43,;67.32,-64.21,;67.32,-65.79,;68.69,-66.59,;70.07,-65.8,;65.92,-66.59,;64.48,-65.02,;62.43,-65.43,;59.65,-62.19,;56.5,-60.66,;56.51,-58.58,;58.08,-58.26,;58.58,-56.78,;60.1,-56.48,;61.13,-57.64,;62.62,-57.36,;63.64,-58.51,;63.15,-59.97,;61.65,-60.28,;60.63,-59.12,;59.11,-59.42,;65.15,-58.21,;65.78,-56.81,;67.31,-56.98,;67.61,-58.49,;66.28,-59.24,)|
Structure
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