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Target
Histone deacetylase 3
Ligand
BDBM50587251
Substrate
n/a
Meas. Tech.
ChEMBL_2171722 (CHEMBL5056856)
IC50
64±n/a nM
Citation
 Schäker-Hübner, L; Warstat, R; Ahlert, H; Mishra, P; Kraft, FB; Schliehe-Diecks, J; Schöler, A; Borkhardt, A; Breit, B; Bhatia, S; Hügle, M; Günther, S; Hansen, FK 4-Acyl Pyrrole Capped HDAC Inhibitors: A New Scaffold for Hybrid Inhibitors of BET Proteins and Histone Deacetylases as Antileukemia Drug Leads. J Med Chem 64:14620-14646 (2021) [PubMed]  Article 
Target
Name:
Histone deacetylase 3
Synonyms:
HD3 | HDAC3 | HDAC3_HUMAN | Histone deacetylase 3 (HDAC3) | Human HDAC3 | RPD3-2 | SMAP45
Type:
Enzyme
Mol. Mass.:
48829.55
Organism:
Homo sapiens (Human)
Description:
O15379
Residue:
428
Sequence:
MAKTVAYFYDPDVGNFHYGAGHPMKPHRLALTHSLVLHYGLYKKMIVFKPYQASQHDMCRFHSEDYIDFLQRVSPTNMQGFTKSLNAFNVGDDCPVFPGLFEFCSRYTGASLQGATQLNNKICDIAINWAGGLHHAKKFEASGFCYVNDIVIGILELLKYHPRVLYIDIDIHHGDGVQEAFYLTDRVMTVSFHKYGNYFFPGTGDMYEVGAESGRYYCLNVPLRDGIDDQSYKHLFQPVINQVVDFYQPTCIVLQCGADSLGCDRLGCFNLSIRGHGECVEYVKSFNIPLLVLGGGGYTVRNVARCWTYETSLLVEEAISEELPYSEYFEYFAPDFTLHPDVSTRIENQNSRQYLDQIRQTIFENLKMLNHAPSVQIHDVPADLLTYDRTDEADAEERGPEENYSRPEAPNEFYDGDHDNDKESDVEI
  
Inhibitor
Name:
BDBM50587251
Synonyms:
CHEMBL5080049
Type:
Small organic molecule
Emp. Form.:
C25H26N4O7S
Mol. Mass.:
526.562
SMILES:
COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)n1ccc(\C=C\C(=O)NO)c1
Structure:
Search PDB for entries with ligand similarity: