Attributes
UniProt ID
Protein Name
Ketohexokinase
Ligand Name
6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XNJVLRJGPUMHDH-AWEZNQCLSA-N
SMILES
c1c(c(c(nc1N2CCN(CC2)CCO)N3CCCC(C3)CO)C#N)C(F)(F)F
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5WBR
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Color Legend
Unassigned regionsLigand / hetero atomse5wbrA1e5wbrB1