Reaction Details Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM50302053
Substrate
n/a
Meas. Tech.
ChEMBL_812542 (CHEMBL2014417)
IC50
20±n/a nM
Citation
 Hutt, DM; Olsen, CA; Vickers, CJ; Herman, D; Chalfant, M; Montero, A; Leman, LJ; Burkle, R; Maryanoff, BE; Balch, WE; Ghadiri, MR Potential Agents for Treating Cystic Fibrosis: Cyclic Tetrapeptides that Restore Trafficking and Activity of ¿F508-CFTR. ACS Med Chem Lett 2:703-707 (2011) [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:
Human
Description:
Q13547
Residue:
482
Sequence:
MAQTQGTRRKVCYYYDGDVGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKANAEEMTKYHSDDYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVASAVKLNKQQTDIAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNYPLRDGIDDESYEAIFKPVMSKVMEMFQPSAVVLQCGSDSLSGDRLGCFNLTIKGHAKCVEFVKSFNLPMLMLGGGGYTIRNVARCWTYETAVALDTEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTNEYLEKIKQRLFENLRMLPHAPGVQMQAIPEDAIPEESGDEDEDDPDKRISICSSDKRIACEEEFSDSEEEGEGGRKNSSNFKKAKRVKTEDEKEKDPEEKKEVTEEEKTKEEKPEAKGVKEEVKLA
  
Inhibitor
Name:
BDBM50302053
Synonyms:
(3S,6R,9S,13S)-3-((1H-indol-3-yl)methyl)-13-isobutyl-9-methyl-6-((4-oxohexylthio)methyl)-1,4,7,10-tetraazacyclotridecane-2,5,8,11-tetraone | CHEMBL569812
Type:
Small organic molecule
Emp. Form.:
C30H43N5O5S
Mol. Mass.:
585.758
SMILES:
CCC(=O)CCCSC[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r|
Structure:
Search PDB for entries with ligand similarity: