DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Dipeptidyl peptidase 4
Ligand Name
2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3H)-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
QWESHPQYRLOVFN-LJQANCHMSA-N
SMILES
CC#CCn1c2c(nc1N3CCCC(C3)N)N4CCCN(C4=NC2=O)Cc5nc(c6ccccc6n5)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 5T4E
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Color Legend
Unassigned regionsLigand / hetero atomse5t4eA1e5t4eA2e5t4eB2e5t4eB3
ECOD domains from experimental PDB structures interacting with ligand 75L
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P27487n/a75L5t4ee5t4eA1A:509-766
P27487n/a75L5t4ee5t4eA2A:39-508
P27487n/a75L5t4ee5t4eB2B:39-508
P27487n/a75L5t4ee5t4eB3B:509-766