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Attributes

UniProt ID
Protein Name
Dipeptidyl peptidase 4
Ligand Name
2-({2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
KMOYVYIQCXEQDG-OAHLLOKOSA-N
SMILES
CN1C(=O)CN2C1=Nc3c(n(c(n3)N4CCCC(C4)N)Cc5cc(ccc5C#N)F)C2=O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 5I7U
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Color Legend
Unassigned regionsLigand / hetero atomse5i7uA1e5i7uA2e5i7uB1e5i7uB2
ECOD domains from experimental PDB structures interacting with ligand 6AJ
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P27487n/a6AJ5i7ue5i7uA1A:39-508
P27487n/a6AJ5i7ue5i7uA2A:509-766
P27487n/a6AJ5i7ue5i7uB1B:39-508
P27487n/a6AJ5i7ue5i7uB2B:509-766