Reaction Details Report a problem with these data
Target
3-dehydroquinate dehydratase
Ligand
BDBM50352022
Substrate
n/a
Meas. Tech.
ChEMBL_766424 (CHEMBL1826564)
Ki
260±n/a nM
Citation
 Tizón, L; Otero, JM; Prazeres, VF; Llamas-Saiz, AL; Fox, GC; van Raaij, MJ; Lamb, H; Hawkins, AR; Ainsa, JA; Castedo, L; González-Bello, C A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors. J Med Chem 54:6063-84 (2011) [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:
BDBM50352022
Synonyms:
CHEMBL1823566
Type:
Small organic molecule
Emp. Form.:
C29H25O6
Mol. Mass.:
469.5057
SMILES:
O[C@@H]1C[C@](O)(C([O-])=O)C(Cc2ccc3ccccc3c2)=C(OCc2ccc3ccccc3c2)[C@H]1O |r,t:21|
Structure:
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