Reaction Details Report a problem with these data
Target
Deoxyhypusine synthase
Ligand
BDBM50216786
Substrate
n/a
Meas. Tech.
ChEMBL_1858216 (CHEMBL4358945)
IC50
140±n/a nM
Citation
 Tanaka, Y; Kurasawa, O; Yokota, A; Klein, MG; Ono, K; Saito, B; Matsumoto, S; Okaniwa, M; Ambrus-Aikelin, G; Morishita, D; Kitazawa, S; Uchiyama, N; Ogawa, K; Kimura, H; Imamura, S Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase. J Med Chem 63:3215-3226 (2020) [PubMed]  Article 
Target
Name:
Deoxyhypusine synthase
Synonyms:
2.5.1.46 | DHPS | DHS | DHYS_HUMAN | DS | Deoxyhypusine synthase
Type:
PROTEIN
Mol. Mass.:
40962.06
Organism:
Homo sapiens
Description:
ChEMBL_18047
Residue:
369
Sequence:
MEGSLEREAPAGALAAVLKHSSTLPPESTQVRGYDFNRGVNYRALLEAFGTTGFQATNFGRAVQQVNAMIEKKLEPLSQDEDQHADLTQSRRPLTSCTIFLGYTSNLISSGIRETIRYLVQHNMVDVLVTTAGGVEEDLIKCLAPTYLGEFSLRGKELRENGINRIGNLLVPNENYCKFEDWLMPILDQMVMEQNTEGVKWTPSKMIARLGKEINNPESVYYWAQKNHIPVFSPALTDGSLGDMIFFHSYKNPGLVLDIVEDLRLINTQAIFAKCTGMIILGGGVVKHHIANANLMRNGADYAVYINTAQEFDGSDSGARPDEAVSWGKIRVDAQPVKVYADASLVFPLLVAETFAQKMDAFMHEKNED
  
Inhibitor
Name:
BDBM50216786
Synonyms:
CHEMBL229457 | N-(7-Amino-heptyl)-guanidine | N-guanyl-1,7-diaminoheptane
Type:
Small organic molecule
Emp. Form.:
C8H20N4
Mol. Mass.:
172.2712
SMILES:
[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7]
Structure:
Search PDB for entries with ligand similarity: