Reaction Details  Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM50309931
Substrate
n/a
Meas. Tech.
ChEMBL_612149 (CHEMBL1073571)
IC50
11±n/a nM
Citation
 Islam, NM; Kato, T; Nishino, N; Kim, HJ; Ito, A; Yoshida, M Bicyclic peptides as potent inhibitors of histone deacetylases: optimization of alkyl loop length. Bioorg Med Chem Lett 20:997-9 (2010) [PubMed]  Article
Target
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
  
Inhibitor
Name:
BDBM50309931
Synonyms:
6-((1S,7R,10S,13R)-2,8,11,26-Tetraoxo-3,9,12,25-tetraaza-tricyclo[11.11.2.0*3,7*]hexacos-10-yl)-hexanoic acid hydroxyamide | CHEMBL589311
Type:
Small organic molecule
Emp. Form.:
C28H47N5O6
Mol. Mass.:
549.7027
SMILES:
ONC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCCCCCCCCC[C@@H](NC1=O)C(=O)N2 |r|
Structure:
Search PDB for entries with ligand similarity: