Reaction Details Report a problem with these data
Target
Histone deacetylase 2
Ligand
BDBM50381688
Substrate
n/a
Meas. Tech.
ChEMBL_816365 (CHEMBL2024763)
IC50
45.5±n/a nM
Citation
 Huang, D; Li, X; Wei, Y; Xiu, Z A novel series of l-2-benzyloxycarbonylamino-8-(2-pyridyl)-disulfidyloctanoic acid derivatives as histone deacetylase inhibitors: design, synthesis and molecular modeling study. Eur J Med Chem 52:111-22 (2012) [PubMed]  Article 
Target
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:
BDBM50381688
Synonyms:
CHEMBL2022830
Type:
Small organic molecule
Emp. Form.:
C28H31N3O6S2
Mol. Mass.:
569.692
SMILES:
[O-][N+](=O)c1ccc(COC(=O)[C@H](CCCCCCSSc2ccccn2)NC(=O)OCc2ccccc2)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: