Reaction Details Report a problem with these data
Target
Histone deacetylase 3
Ligand
BDBM50027649
Substrate
n/a
Meas. Tech.
ChEMBL_1443002 (CHEMBL3379480)
IC50
3.0±n/a nM
Citation
 Giannini, G; Vesci, L; Battistuzzi, G; Vignola, D; Milazzo, FM; Guglielmi, MB; Barbarino, M; Santaniello, M; Fantò, N; Mor, M; Rivara, S; Pala, D; Taddei, M; Pisano, C; Cabri, W ST7612AA1, a thioacetate-¿(¿-lactam carboxamide) derivative selected from a novel generation of oral HDAC inhibitors. J Med Chem 57:8358-77 (2014) [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:
BDBM50027649
Synonyms:
CHEMBL3356527
Type:
Small organic molecule
Emp. Form.:
C19H27N3O3S
Mol. Mass.:
377.501
SMILES:
SCCCCC[C@H](NC(=O)[C@@H]1CCCNC1=O)C(=O)Nc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: