DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Hexokinase-4
Ligand Name
6-({(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)-1H-imidazol-1-yl]propanoyl}amino)pyridine-3-carboxylic acid
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
GKMLFBRLRVQVJO-ZDUSSCGKSA-N
SMILES
c1cc(ncc1C(=O)O)NC(=O)C(CC2CCCC2)n3cc(nc3)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: 3VF6
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 atomse3vf6A1e3vf6A4
ECOD domains from experimental PDB structures interacting with ligand DB11765
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P35557DB117650H63vf6e3vf6A1A:219-458
P35557DB117650H63vf6e3vf6A4A:2-218