Reaction Details Report a problem with these data
Target
3-dehydroquinate synthase
Ligand
BDBM50028881
Substrate
n/a
Meas. Tech.
ChEMBL_357 (CHEMBL615412)
KOFF
0.000320 s-1
Citation
 Montchamp, JL; Piehler, LT; Tolbert, TJ; Front, JW The basis for slowly reversible inhibition of dehydroquinate synthase: a case of mistaken identity? Bioorg Med Chem Lett 2:1349-1352 (1992)    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:
BDBM50028881
Synonyms:
(1R,3S,4S)-1,4-Dihydroxy-3-phosphonomethyl-cyclohexanecarboxylic acid | CHEMBL177846
Type:
Small organic molecule
Emp. Form.:
C8H15O7P
Mol. Mass.:
254.1743
SMILES:
O[C@H]1CC[C@@](O)(C[C@@H]1CP(O)(O)=O)C(O)=O
Structure:
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