Target
3-dehydroquinate dehydratase
Ligand
BDBM50303443
Substrate
n/a
Meas. Tech.
ChEMBL_595938 (CHEMBL1041787)
Ki
920±n/a nM
Citation
 Prazeres, VFTizón, LOtero, JMGuardado-Calvo, PLlamas-Saiz, ALvan Raaij, MJCastedo, LLamb, HHawkins, ARGonzález-Bello, C Synthesis and biological evaluation of new nanomolar competitive inhibitors of Helicobacter pylori type II dehydroquinase. Structural details of the role of the aromatic moieties with essential residues. J Med Chem 53:191-200 (2010) [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:
BDBM50303443
Synonyms:
CHEMBL567136 | Sodium(1R,4S,5R)-1,4-Dihydroxy-3-(thien-3-yl)methoxycyclohex-2-en-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C12H13O6S
Mol. Mass.:
285.294
SMILES:
O[C@@H]1C[C@@](O)(C=C(OCc2cccs2)[C@H]1O)C([O-])=O |r,t:5|
Structure:
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