Target
3-dehydroquinate dehydratase
Ligand
BDBM50496975
Substrate
n/a
Meas. Tech.
ChEMBL_1337423 (CHEMBL3241568)
Ki
10500±n/a nM
Citation
 Blanco, BSedes, APeón, AOtero, JMvan Raaij, MJThompson, PHawkins, ARGonzález-Bello, C Exploring the water-binding pocket of the type II dehydroquinase enzyme in the structure-based design of inhibitors. J Med Chem 57:3494-510 (2014) [PubMed]  Article 
Target
Name:
3-dehydroquinate dehydratase
Synonyms:
AROQ_HELPY | aroQ
Type:
PROTEIN
Mol. Mass.:
18479.08
Organism:
Helicobacter pylori
Description:
ChEMBL_766424
Residue:
167
Sequence:
MKILVIQGPNLNMLGHRDPRLYGMVTLDQIHEIMQTFVKQGNLDVELEFFQTNFEGEIIDKIQESVGSDYEGIIINPGAFSHTSIAIADAIMLAGKPVIEVHLTNIQAREEFRKNSYTGAACGGVIMGFGPLGYNMALMAMVNILAEMKAFQEAQKNNPNNPINNQK
  
Inhibitor
Name:
BDBM50496975
Synonyms:
CHEMBL3233400
Type:
Small organic molecule
Emp. Form.:
C15H17ClO5
Mol. Mass.:
312.745
SMILES:
O[C@@H]1C[C@@](O)(C=C([C@H](Cl)Cc2ccccc2)[C@H]1O)C(O)=O |r,t:5|
Structure:
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