Attributes
UniProt ID
Protein Name
Aldehyde dehydrogenase, mitochondrial
Ligand Name
1-benzyl-1H-indole-2,3-dione
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
SIISFRLGYDVIRG-UHFFFAOYSA-N
SMILES
c1ccc(cc1)CN2c3ccccc3C(=O)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: 4KWF
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse4kwfA1e4kwfA2e4kwfB1e4kwfB2e4kwfC1e4kwfC2e4kwfD1e4kwfD2e4kwfE1e4kwfE2e4kwfF1e4kwfF2e4kwfG1e4kwfG2e4kwfH1e4kwfH2
ECOD domains from experimental PDB structures interacting with ligand 3AK
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P05091 | n/a | 3AK | 4kwf | e4kwfA1 | A:7-270 |
| P05091 | n/a | 3AK | 4kwf | e4kwfA2 | A:271-500 |
| P05091 | n/a | 3AK | 4kwf | e4kwfB1 | B:7-270 |
| P05091 | n/a | 3AK | 4kwf | e4kwfB2 | B:271-500 |
| P05091 | n/a | 3AK | 4kwf | e4kwfE1 | E:7-270 |
| P05091 | n/a | 3AK | 4kwf | e4kwfE2 | E:271-500 |
| P05091 | n/a | 3AK | 4kwf | e4kwfH1 | H:271-500 |
| P05091 | n/a | 3AK | 4kwf | e4kwfH2 | H:7-270 |