DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Dipeptidyl peptidase 4
Ligand Name
2-[(3S)-3-AMINOPIPERIDIN-1-YL]-1-(2-CYANOBENZYL)-5-METHYL-4,6-DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-D]IMIDAZOL-1-IUM
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
WVRGIUWTFUXDGX-AWEZNQCLSA-O
SMILES
CN1C(=O)c2c([n+](c([nH]2)N3CCCC(C3)N)Cc4ccccc4C#N)C1=O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 2I3Z
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 atomse2i3zA1e2i3zA2e2i3zB1e2i3zB2
ECOD domains from experimental PDB structures interacting with ligand LIR
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P14740n/aLIR2i3ze2i3zA1A:38-500
P14740n/aLIR2i3ze2i3zA2A:501-767