Attributes
UniProt ID
Protein Name
3-dehydroquinate dehydratase
Ligand Name
(1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BNUWPGVZRDEWEX-ISTRZQFTSA-N
SMILES
Cc1ccc2c(c1)cc(s2)COC3=CC(CC(C3O)O)(C(=O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 2WKS
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Color Legend
Unassigned regionsLigand / hetero atomse2wksA1e2wksB1e2wksC1e2wksD1e2wksE1e2wksF1
ECOD domains from experimental PDB structures interacting with ligand CB6