Attributes
UniProt ID
Protein Name
Dipeptidyl peptidase 4
Ligand Name
2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
GGCILSXUAHLDMF-CQSZACIVSA-N
SMILES
c1ccc(c(c1)CN2C(=O)C(=CN=C2N3CCCC(C3)N)Br)C#N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 3G0G
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Color Legend
Unassigned regionsLigand / hetero atomse3g0gA1e3g0gA2e3g0gB1e3g0gB2e3g0gC1e3g0gC2e3g0gD1e3g0gD2
ECOD domains from experimental PDB structures interacting with ligand RUM
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P27487 | n/a | RUM | 3g0g | e3g0gA1 | A:41-508 |
| P27487 | n/a | RUM | 3g0g | e3g0gA2 | A:509-766 |
| P27487 | n/a | RUM | 3g0g | e3g0gB1 | B:35-508 |
| P27487 | n/a | RUM | 3g0g | e3g0gB2 | B:509-766 |
| P27487 | n/a | RUM | 3g0g | e3g0gC1 | C:41-508 |
| P27487 | n/a | RUM | 3g0g | e3g0gC2 | C:509-766 |
| P27487 | n/a | RUM | 3g0g | e3g0gD1 | D:41-70,D:101-508 |
| P27487 | n/a | RUM | 3g0g | e3g0gD2 | D:501-766 |