Reaction Details Report a problem with these data
Target
NAD-dependent protein deacetylase sirtuin-2
Ligand
BDBM50576699
Substrate
n/a
Meas. Tech.
ChEMBL_2127690 (CHEMBL4837035)
Ki
92000±n/a nM
Citation
 Zhou, Y; Shen, W; Peng, J; Deng, Y; Li, X Identification of isoform/domain-selective fragments from the selection of DNA-encoded dynamic library. Bioorg Med Chem 45:0 (2021) [PubMed]  Article 
Target
Name:
NAD-dependent protein deacetylase sirtuin-2
Synonyms:
NAD-Dependent Deacetylase Sirtuin-2 | NAD-dependent deacetylase sirtuin 2 | NAD-dependent deacetylase sirtuin 3 | NAD-dependent protein deacetylase sirtuin-2 (SIRT2) | SIR2-like | SIR2-like protein 2 | SIR2L | SIR2L2 | SIR2_HUMAN | SIRT2 | Sirtuin 2 (SIRT2)
Type:
Hydrolase
Mol. Mass.:
43172.62
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
389
Sequence:
MAEPDPSHPLETQAGKVQEAQDSDSDSEGGAAGGEADMDFLRNLFSQTLSLGSQKERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGLYDNLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQSGAGVPNPSTSASPKKSPPPAKDEARTTEREKPQ
  
Inhibitor
Name:
BDBM50576699
Synonyms:
CHEMBL4858865
Type:
Small organic molecule
Emp. Form.:
C44H56F2N8O9
Mol. Mass.:
878.9604
SMILES:
CC1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)NCCOCCOCCOCCNC(=O)c1cn2C(C)COc4c(N5CCN(C)CC5)c(F)cc(c24)c1=O)c3=O
Structure:
Search PDB for entries with ligand similarity: