Reaction Details Report a problem with these data
Target
3-dehydroquinate synthase
Ligand
BDBM50100862
Substrate
n/a
Meas. Tech.
ChEMBL_350 (CHEMBL615323)
Ki
5000±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:
BDBM50100862
Synonyms:
3,4-Dihydroxy-5-(2-phosphono-ethyl)-benzoic acid | CHEMBL285952
Type:
Small organic molecule
Emp. Form.:
C9H11O7P
Mol. Mass.:
262.1532
SMILES:
OC(=O)c1cc(O)c(O)c(CCP(O)(O)=O)c1
Structure:
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