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Target
Histone deacetylase 3
Ligand
BDBM50356634
Substrate
n/a
Meas. Tech.
ChEMBL_864738 (CHEMBL2175005)
Ki
23±n/a nM
Citation
 Vaidya, AS; Neelarapu, R; Madriaga, A; Bai, H; Mendonca, E; Abdelkarim, H; van Breemen, RB; Blond, SY; Petukhov, PA Novel histone deacetylase 8 ligands without a zinc chelating group: exploring an 'upside-down' binding pose. Bioorg Med Chem Lett 22:6621-7 (2012) [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:
BDBM50356634
Synonyms:
CHEMBL1914702
Type:
Small organic molecule
Emp. Form.:
C25H26N10O5
Mol. Mass.:
546.5379
SMILES:
ONC(=O)CCCCCCNC(=O)c1cc(on1)-c1ccc(NC(=O)c2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1
Structure:
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