Reaction Details Report a problem with these data
Target
3-dehydroquinate dehydratase
Ligand
BDBM50303446
Substrate
n/a
Meas. Tech.
ChEMBL_595938 (CHEMBL1041787)
Ki
166±n/a nM
Citation
 Prazeres, VF; Tizón, L; Otero, JM; Guardado-Calvo, P; Llamas-Saiz, AL; van Raaij, MJ; Castedo, L; Lamb, H; Hawkins, AR; González-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:
BDBM50303446
Synonyms:
CHEMBL576247 | Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3-[(benzo[b]tiophen-5-yl)methoxy]cyclohex-2-en-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C16H15O6S
Mol. Mass.:
335.352
SMILES:
O[C@@H]1C[C@@](O)(C=C(OCc2ccc3sccc3c2)[C@H]1O)C([O-])=O |r,t:5|
Structure:
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