Attributes
UniProt ID
Protein Name
3-dehydroquinate dehydratase
Ligand Name
(1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
KDOXKRDIRCHNDT-UQFNBPPOSA-N
SMILES
COc1ccc(cc1)CC2C(=O)C(C(CC2(C(=O)O)O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4B6R
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse4b6rA1e4b6rB1e4b6rC1