Reaction Details Report a problem with these data
Target
3-dehydroquinate dehydratase
Ligand
BDBM50352031
Substrate
n/a
Meas. Tech.
ChEMBL_766424 (CHEMBL1826564)
Ki
205±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:
BDBM50352031
Synonyms:
CHEMBL1823560
Type:
Small organic molecule
Emp. Form.:
C16H14ClO6S
Mol. Mass.:
369.797
SMILES:
O[C@@H]1C[C@@](O)(C=C(OCc2cc3ccc(Cl)cc3s2)[C@H]1O)C([O-])=O |r,t:5|
Structure:
Search PDB for entries with ligand similarity: