Reaction Details Report a problem with these data
Target
3-dehydroquinate synthase
Ligand
BDBM50100861
Substrate
n/a
Meas. Tech.
ChEMBL_351 (CHEMBL615407)
Ki
65000±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:
BDBM50100861
Synonyms:
3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic acid | 4,5-Dihydroxybenzoic acid | 4-Carboxy-1,2-dihydroxybenzene | CHEMBL37537 | Protocatechuic acid | Protocatechuic acid (M1) | Protocatehuic acid | cid_72
Type:
Small organic molecule
Emp. Form.:
C7H6O4
Mol. Mass.:
154.1201
SMILES:
OC(=O)c1ccc(O)c(O)c1
Structure:
Search PDB for entries with ligand similarity: