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Target
Histone deacetylase 1/REST corepressor 3
Ligand
BDBM50460386
Substrate
n/a
Meas. Tech.
ChEMBL_1769411 (CHEMBL4221523)
Ki
43±n/a nM
Citation
 Milelli, A; Marchetti, C; Turrini, E; Catanzaro, E; Mazzone, R; Tomaselli, D; Fimognari, C; Tumiatti, V; Minarini, A Novel polyamine-based Histone deacetylases-Lysine demethylase 1 dual binding inhibitors. Bioorg Med Chem Lett 28:1001-1004 (2018) [PubMed]  Article 
Target
Name:
Histone deacetylase 1/REST corepressor 3
Synonyms:
HDAC1/REST corepressor 3
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1769411
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:
REST corepressor 3
Synonyms:
KIAA1343 | RCOR3 | RCOR3_HUMAN | REST corepressor 3
Type:
PROTEIN
Mol. Mass.:
55589.31
Organism:
Homo sapiens
Description:
ChEMBL_118345
Residue:
495
Sequence:
MRVGAEYQARIPEFDPGATKYTDKDNGGMLVWSPYHSIPDAKLDEYIAIAKEKHGYNVEQALGMLFWHKHNIEKSLADLPNFTPFPDEWTVEDKVLFEQAFSFHGKSFHRIQQMLPDKTIASLVKYYYSWKKTRSRTSLMDRQARKLANRHNQGDSDDDVEETHPMDGNDSDYDPKKEAKKEGNTEQPVQTSKIGLGRREYQSLQHRHHSQRSKCRPPKGMYLTQEDVVAVSCSPNAANTILRQLDMELISLKRQVQNAKQVNSALKQKMEGGIEEFKPPESNQKINARWTTEEQLLAVQGVRKYGKDFQAIADVIGNKTVGQVKNFFVNYRRRFNLEEVLQEWEAEQGTQASNGDASTLGEETKSASNVPSGKSTDEEEEAQTPQAPRTLGPSPPAPSSTPTPTAPIATLNQPPPLLRPTLPAAPALHRQPPPLQQQARFIQPRPTLNQPPPPLIRPANSMPPRLNPRPVLSTVGGQQPPSLIGIQTDSQSSLH
  
Inhibitor
Name:
BDBM50460386
Synonyms:
CHEMBL4228166
Type:
Small organic molecule
Emp. Form.:
C38H61Cl3N8O6
Mol. Mass.:
832.3
SMILES:
Cl.Cl.Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)CCC(=O)NCCCNCCCCNCCCNC(=O)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: