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Target
Histone deacetylase 3
Ligand
BDBM50561993
Substrate
n/a
Meas. Tech.
ChEMBL_2076391 (CHEMBL4731925)
IC50
114±n/a nM
Citation
 Liu, J; Yu, Y; Kelly, J; Sha, D; Alhassan, AB; Yu, W; Maletic, MM; Duffy, JL; Klein, DJ; Holloway, MK; Carroll, S; Howell, BJ; Barnard, RJO; Wolkenberg, S; Kozlowski, JA Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group. ACS Med Chem Lett 11:2476-2483 (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:
BDBM50561993
Synonyms:
CHEMBL4744636
Type:
Small organic molecule
Emp. Form.:
C30H30N6O3S2
Mol. Mass.:
586.728
SMILES:
COc1nc2ccccc2cc1-c1cnc([nH]1)[C@H](CCCCNC(=O)c1ccccc1SC)NC(=O)c1cncs1 |r|
Structure:
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