Reaction Details Report a problem with these data
Target
3-dehydroquinate synthase
Ligand
BDBM50028881
Substrate
n/a
Meas. Tech.
ChEMBL_355 (CHEMBL615410)
Ki
220±n/a nM
Citation
 Itzhak, Y; Kalir, A; Weissman, BA; Cohen, S New analgesic drugs derived from phencyclidine. J Med Chem 24:496-9 (1981) [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:
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:
Search PDB for entries with ligand similarity: