Reaction Details  Report a problem with these data
Target
Histone deacetylase 3
Ligand
BDBM50551544
Substrate
n/a
Meas. Tech.
ChEMBL_2112645 (CHEMBL4821495)
IC50
330±n/a nM
Citation
 Hsu, KC; Chu, JC; Tseng, HJ; Liu, CI; Wang, HC; Lin, TE; Lee, HS; Hsin, LW; Wang, AH; Lin, CH; Huang, WJ Synthesis and biological evaluation of phenothiazine derivative-containing hydroxamic acids as potent class II histone deacetylase inhibitors. Eur J Med Chem 219:0 (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:
BDBM50551544
Synonyms:
CHEMBL4796066
Type:
Small organic molecule
Emp. Form.:
C20H14BrN3O2
Mol. Mass.:
408.248
SMILES:
ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(Br)cc23)cc1
Structure:
Search PDB for entries with ligand similarity: