Target
3-dehydroquinate dehydratase
Ligand
BDBM50137066
Substrate
n/a
Meas. Tech.
ChEMBL_213120 (CHEMBL818199)
Ki
45000±n/a nM
Citation
 González-Bello, CLence, EToscano, MDCastedo, LCoggins, JRAbell, 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:
BDBM50137066
Synonyms:
(1R,4R,5R)-4,5-Dihydroxy-1-(2-nitro-benzyloxy)-cyclohex-2-enecarboxylic acid | CHEMBL156711
Type:
Small organic molecule
Emp. Form.:
C14H15NO7
Mol. Mass.:
309.2714
SMILES:
O[C@@H]1C[C@@](OCc2ccccc2[N+]([O-])=O)(C=C[C@H]1O)C(O)=O |c:16|
Structure:
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