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Target
Histone deacetylase (HDAC1 and HDAC2)
Ligand
BDBM50511602
Substrate
n/a
Meas. Tech.
ChEMBL_1845207 (CHEMBL4345634)
IC50
11±n/a nM
Citation
 Zhou, Y; Liu, X; Xue, J; Liu, L; Liang, T; Li, W; Yang, X; Hou, X; Fang, H Discovery of Peptide Boronate Derivatives as Histone Deacetylase and Proteasome Dual Inhibitors for Overcoming Bortezomib Resistance of Multiple Myeloma. J Med Chem 63:4701-4715 (2020) [PubMed]  Article 
Target
Name:
Histone deacetylase (HDAC1 and HDAC2)
Synonyms:
HDACs | Histone deacetylase 1/2
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 2197604
Components:
This complex has 2 components.
Component 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:
MAQTQGTRRKVCYYYDGDVGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKANAEEMTKYHSDDYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVASAVKLNKQQTDIAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNYPLRDGIDDESYEAIFKPVMSKVMEMFQPSAVVLQCGSDSLSGDRLGCFNLTIKGHAKCVEFVKSFNLPMLMLGGGGYTIRNVARCWTYETAVALDTEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTNEYLEKIKQRLFENLRMLPHAPGVQMQAIPEDAIPEESGDEDEDDPDKRISICSSDKRIACEEEFSDSEEEGEGGRKNSSNFKKAKRVKTEDEKEKDPEEKKEVTEEEKTKEEKPEAKGVKEEVKLA
  
Component 2
Name:
Histone deacetylase 2
Synonyms:
Cereblon/Histone deacetylase 2 | HD2 | HDAC2 | HDAC2_HUMAN | Histone deacetylase 2 (HDAC2) | Human HDAC2
Type:
Chromatin regulator; hydrolase; repressor
Mol. Mass.:
55356.54
Organism:
Homo sapiens (Human)
Description:
Q92769
Residue:
488
Sequence:
MAYSQGGGKKKVCYYYDGDIGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKATAEEMTKYHSDEYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVAGAVKLNRQQTDMAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNFPMRDGIDDESYGQIFKPIISKVMEMYQPSAVVLQCGADSLSGDRLGCFNLTVKGHAKCVEVVKTFNLPLLMLGGGGYTIRNVARCWTYETAVALDCEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTPEYMEKIKQRLFENLRMLPHAPGVQMQAIPEDAVHEDSGDEDGEDPDKRISIRASDKRIACDEEFSDSEDEGEGGRRNVADHKKGAKKARIEEDKKETEDKKTDVKEEDKSKDNSGEKTDTKGTKSEQLSNP
  
Inhibitor
Name:
BDBM50511602
Synonyms:
CHEMBL4463372
Type:
Small organic molecule
Emp. Form.:
C36H45BN4O6
Mol. Mass.:
640.577
SMILES:
[H][C@@]12C[C@@]([H])([C@@]3([H])OB(O[C@@]3(C)C1)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)c1cccc(\C=C\C(=O)NO)c1)C2(C)C |r|
Structure:
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