Reaction Details Report a problem with these data
Target
Histone deacetylase 3
Ligand
BDBM213172
Substrate
n/a
Meas. Tech.
HDAC Enzyme Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
3190±n/a nM
Comments
extracted
Citation
 van Duzer, JH; Mazitschek, R; Jones, SS; Yang, M; Tamang, DL Pyrimidine hydroxy amide compounds as histone deacetylase inhibitors US Patent  US9278963 Publication Date 3/8/2016 
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:
BDBM213172
Synonyms:
US9278963, 019
Type:
Small organic molecule
Emp. Form.:
C22H22ClN5O4S
Mol. Mass.:
487.959
SMILES:
ONC(=O)c1cnc(NC2(CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)nc1
Structure:
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