Reaction Details Report a problem with these data
Target
3-dehydroquinate dehydratase
Ligand
BDBM50137059
Substrate
n/a
Meas. Tech.
ChEMBL_213120 (CHEMBL818199)
Ki
170000±n/a nM
Citation
 González-Bello, C; Lence, E; Toscano, MD; Castedo, L; Coggins, JR; Abell, C Parallel solid-phase synthesis and evaluation of inhibitors of Streptomyces coelicolor type II dehydroquinase. J Med Chem 46:5735-44 (2003) [PubMed]  Article 
Target
Name:
3-dehydroquinate dehydratase
Synonyms:
AROQ_STRCO | aroQ
Type:
PROTEIN
Mol. Mass.:
16681.13
Organism:
Streptomyces coelicolor
Description:
ChEMBL_332877
Residue:
157
Sequence:
MPRSLANAPIMILNGPNLNLLGQRQPEIYGSDTLADVEALCVKAAAAHGGTVDFRQSNHEGELVDWIHEARLNHCGIVINPAAYSHTSVAILDALNTCDGLPVVEVHISNIHQREPFRHHSYVSQRADGVVAGCGVQGYVFGVERIAALAGAGSARA
  
Inhibitor
Name:
BDBM50137059
Synonyms:
4-((1R,4R,5R)-1-Carboxy-4,5-dihydroxy-cyclohex-2-enyloxymethyl)-benzoic acid | CHEMBL152738
Type:
Small organic molecule
Emp. Form.:
C15H16O7
Mol. Mass.:
308.2833
SMILES:
O[C@@H]1C[C@@](OCc2ccc(cc2)C(O)=O)(C=C[C@H]1O)C(O)=O |c:16|
Structure:
Search PDB for entries with ligand similarity: