Reaction Details Report a problem with these data
Target
NAD-dependent protein deacetylase HST2
Ligand
BDBM50242437
Substrate
n/a
Meas. Tech.
ChEMBL_533704 (CHEMBL973326)
Kd
8600±n/a nM
Citation
 Smith, BC; Denu, JM Acetyl-lysine analog peptides as mechanistic probes of protein deacetylases. J Biol Chem 282:37256-65 (2007) [PubMed]  Article 
Target
Name:
NAD-dependent protein deacetylase HST2
Synonyms:
HST2 | HST2_YEAST | NAD-dependent deacetylase HST2
Type:
PROTEIN
Mol. Mass.:
39972.79
Organism:
Saccharomyces cerevisiae
Description:
ChEMBL_533704
Residue:
357
Sequence:
MSVSTASTEMSVRKIAAHMKSNPNAKVIFMVGAGISTSCGIPDFRSPGTGLYHNLARLKLPYPEAVFDVDFFQSDPLPFYTLAKELYPGNFRPSKFHYLLKLFQDKDVLKRVYTQNIDTLERQAGVKDDLIIEAHGSFAHCHCIGCGKVYPPQVFKSKLAEHPIKDFVKCDVCGELVKPAIVFFGEDLPDSFSETWLNDSEWLREKITTSGKHPQQPLVIVVGTSLAVYPFASLPEEIPRKVKRVLCNLETVGDFKANKRPTDLIVHQYSDEFAEQLVEELGWQEDFEKILTAQGGMGDNSKEQLLEIVHDLENLSLDQSEHESADKKDKKLQRLNGHDSDEDGASNSSSSQKAAKE
  
Inhibitor
Name:
BDBM50242437
Synonyms:
(2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]acetamido}acetamido)-6-propanamidohexanamido]propanoyl]pyrrolidin-2-yl]formamido}pentanamido]hexanamido]-4-carbamoylbutanoic acid | CHEMBL450495
Type:
Small organic molecule
Emp. Form.:
C51H92N18O16
Mol. Mass.:
1213.3872
SMILES:
[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r|
Structure:
Search PDB for entries with ligand similarity: