Attributes
UniProt ID
Protein Name
Vinculin
Ligand Name
[(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XLNCEHRXXWQMPK-MJUMVPIBSA-N
SMILES
CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4PR9
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Color Legend
Unassigned regionsLigand / hetero atomse4pr9A1e4pr9B1e4pr9C1e4pr9D1e4pr9E1e4pr9F1
ECOD domains from experimental PDB structures interacting with ligand PIO
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P18206 | n/a | PIO | 4pr9 | e4pr9A1 | A:891-1065 |
| P18206 | n/a | PIO | 4pr9 | e4pr9B1 | B:891-1066 |
| P18206 | n/a | PIO | 4pr9 | e4pr9C1 | C:891-1064 |
| P18206 | n/a | PIO | 4pr9 | e4pr9D1 | D:891-1066 |
| P18206 | n/a | PIO | 4pr9 | e4pr9E1 | E:893-1064 |
| P18206 | n/a | PIO | 4pr9 | e4pr9F1 | F:894-1064 |
| P18206 | n/a | PIO | 5l0c | e5l0cA1 | A:959-1134 |
| P18206 | n/a | PIO | 5l0c | e5l0cB1 | B:959-1133 |
| P18206 | n/a | PIO | 5l0c | e5l0cC1 | C:959-1133 |
| P18206 | n/a | PIO | 5l0c | e5l0cD1 | D:959-1134 |
| P18206 | n/a | PIO | 5l0d | e5l0dA1 | A:960-1130 |
| P18206 | n/a | PIO | 5l0d | e5l0dB1 | B:960-1130 |
| P18206 | n/a | PIO | 5l0d | e5l0dD1 | D:962-1130 |
| P18206 | n/a | PIO | 5l0g | e5l0gA1 | A:960-1132 |
| P18206 | n/a | PIO | 5l0g | e5l0gB1 | B:959-1132 |
| P18206 | n/a | PIO | 5l0g | e5l0gC1 | C:959-1132 |
| P18206 | n/a | PIO | 5l0g | e5l0gD1 | D:959-1133 |
| P18206 | n/a | PIO | 5l0h | e5l0hA1 | A:960-1132 |