Reaction Details Report a problem with these data
Target
Deoxyhypusine synthase
Ligand
BDBM50583902
Substrate
n/a
Meas. Tech.
ChEMBL_2158319 (CHEMBL5043069)
IC50
180±n/a nM
Citation
 Liu, KL; Li, XY; Wang, DP; Xue, WH; Qian, XH; Li, YH; Lin, QQ; Li, S; Meng, FH Novel Allosteric Inhibitors of Deoxyhypusine Synthase against Malignant Melanoma: Design, Synthesis, and Biological Evaluation. J Med Chem 64:13356-13372 (2021) [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:
BDBM50583902
Synonyms:
CHEMBL5091281
Type:
Small organic molecule
Emp. Form.:
C17H13ClIN3O2
Mol. Mass.:
453.661
SMILES:
COc1ccccc1Oc1c(N)nc(nc1Cl)-c1ccc(I)cc1
Structure:
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