Reaction Details Report a problem with these data
Target
3-dehydroquinate dehydratase
Ligand
BDBM50137069
Substrate
n/a
Meas. Tech.
ChEMBL_213120 (CHEMBL818199)
Ki
430000±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:
BDBM50137069
Synonyms:
(1R,4R,5R)-1-(4-Cyano-benzyloxy)-4,5-dihydroxy-cyclohex-2-enecarboxylic acid | CHEMBL351107
Type:
Small organic molecule
Emp. Form.:
C15H15NO5
Mol. Mass.:
289.2833
SMILES:
O[C@@H]1C[C@@](OCc2ccc(cc2)C#N)(C=C[C@H]1O)C(O)=O |c:15|
Structure:
Search PDB for entries with ligand similarity: