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Target
Histone deacetylase 3
Ligand
BDBM50543650
Substrate
n/a
Meas. Tech.
ChEMBL_1989628 (CHEMBL4623363)
IC50
0.093000±n/a nM
Citation
 Yu, W; Liu, J; Yu, Y; Zhang, V; Clausen, D; Kelly, J; Wolkenberg, S; Beshore, D; Duffy, JL; Chung, CC; Myers, RW; Klein, DJ; Fells, J; Holloway, K; Wu, J; Wu, G; Howell, BJ; Barnard, RJO; Kozlowski, J Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg Med Chem Lett 30:0 (2020) [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:
BDBM50543650
Synonyms:
CHEMBL4649205
Type:
Small organic molecule
Emp. Form.:
C34H45N5O3
Mol. Mass.:
571.7528
SMILES:
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(CC2CC2)CC1)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r|
Structure:
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