Reaction Details Report a problem with these data
Target
3-dehydroquinate synthase
Ligand
BDBM50100859
Substrate
n/a
Meas. Tech.
ChEMBL_351 (CHEMBL615407)
Ki
90000±n/a nM
Citation
 Chandran, SS; Frost, JW Aromatic inhibitors of dehydroquinate synthase: synthesis, evaluation and implications for gallic acid biosynthesis. Bioorg Med Chem Lett 11:1493-6 (2001) [PubMed]  Article 
Target
Name:
3-dehydroquinate synthase
Synonyms:
AROB_ECOLI | aroB
Type:
Enzyme
Mol. Mass.:
38878.02
Organism:
Escherichia coli (strain K12)
Description:
P07639
Residue:
362
Sequence:
MERIVVTLGERSYPITIASGLFNEPASFLPLKSGEQVMLVTNETLAPLYLDKVRGVLEQAGVNVDSVILPDGEQYKSLAVLDTVFTALLQKPHGRDTTLVALGGGVVGDLTGFAAASYQRGVRFIQVPTTLLSQVDSSVGGKTAVNHPLGKNMIGAFYQPASVVVDLDCLKTLPPRELASGLAEVIKYGIILDGAFFNWLEENLDALLRLDGPAMAYCIRRCCELKAEVVAADERETGLRALLNLGHTFGHAIEAEMGYGNWLHGEAVAAGMVMAARTSERLGQFSSAETQRIITLLKRAGLPVNGPREMSAQAYLPHMLRDKKVLAGEMRLILPLAIGKSEVRSGVSHELVLNAIADCQSA
  
Inhibitor
Name:
BDBM50100859
Synonyms:
CHEMBL440285 | [2-(2,3-Dihydroxy-phenyl)-ethyl]-phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C8H11O5P
Mol. Mass.:
218.1437
SMILES:
Oc1cccc(CCP(O)(O)=O)c1O
Structure:
Search PDB for entries with ligand similarity: