DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Hexokinase-4
Ligand Name
(2S)-3-cyclopentyl-N-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl]propanamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
QRULBTPYHROTAY-INIZCTEOSA-N
SMILES
Cc1ccc(nc1)NC(=O)C(CC2CCCC2)N3C=CC(=CC3=O)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: 3VEV
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 atomse3vevA1e3vevA4
ECOD domains from experimental PDB structures interacting with ligand 0H4
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P35557n/a0H43veve3vevA1A:219-458
P35557n/a0H43veve3vevA4A:4-218