Reaction Details Report a problem with these data
Target
Histone deacetylase 3
Ligand
BDBM50055518
Substrate
n/a
Meas. Tech.
ChEMBL_1452235 (CHEMBL3366147)
IC50
6.0±n/a nM
Citation
 Kim, B; Park, H; Salvador, LA; Serrano, PE; Kwan, JC; Zeller, SL; Chen, QY; Ryu, S; Liu, Y; Byeon, S; Luesch, H; Hong, J Evaluation of class I HDAC isoform selectivity of largazole analogues. Bioorg Med Chem Lett 24:3728-31 (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:
BDBM50055518
Synonyms:
CHEMBL3317815
Type:
Small organic molecule
Emp. Form.:
C21H29N5O4S3
Mol. Mass.:
511.681
SMILES:
C[C@@]12CSC(=N1)c1csc(CNC(=O)C[C@H](OC(=O)[C@H](CCCN)NC2=O)\C=C\CCS)n1 |r,c:4|
Structure:
Search PDB for entries with ligand similarity: