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Attributes

UniProt ID
Protein Name
Dipeptidyl peptidase 4
Ligand Name
(4S)-1-[(2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
GUYMHFIHHOEFOA-ZCPGHIKRSA-N
SMILES
COc1cc2c(cc1OC)C3CC(C(CN3CC2)N4CC(CC4=O)CF)N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 3KWF
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Color Legend
Unassigned regionsLigand / hetero atomse3kwfA1e3kwfA2e3kwfB1e3kwfB2
ECOD domains from experimental PDB structures interacting with ligand DB12268
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P27487DB12268B1Q3kwfe3kwfA1A:39-508
P27487DB12268B1Q3kwfe3kwfA2A:509-766
P27487DB12268B1Q3kwfe3kwfB1B:39-508
P27487DB12268B1Q3kwfe3kwfB2B:509-766