Attributes
UniProt ID
Protein Name
Aldehyde dehydrogenase, mitochondrial
Ligand Name
1-(4-ethylphenyl)propan-1-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
VGQRIILEZYZAOE-UHFFFAOYSA-N
SMILES
CCc1ccc(cc1)C(=O)CC
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3SZ9
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Color Legend
Unassigned regionsLigand / hetero atomse3sz9A1e3sz9A2e3sz9B1e3sz9B2e3sz9C1e3sz9C2e3sz9D1e3sz9D2e3sz9E1e3sz9E2e3sz9F1e3sz9F2e3sz9G1e3sz9G2e3sz9H1e3sz9H2
ECOD domains from experimental PDB structures interacting with ligand I3E
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P05091 | n/a | I3E | 3sz9 | e3sz9A1 | A:271-500 |
| P05091 | n/a | I3E | 3sz9 | e3sz9A2 | A:7-270 |
| P05091 | n/a | I3E | 3sz9 | e3sz9B1 | B:271-500 |
| P05091 | n/a | I3E | 3sz9 | e3sz9B2 | B:7-270 |
| P05091 | n/a | I3E | 3sz9 | e3sz9C1 | C:6-270 |
| P05091 | n/a | I3E | 3sz9 | e3sz9C2 | C:271-500 |
| P05091 | n/a | I3E | 3sz9 | e3sz9D1 | D:7-270 |
| P05091 | n/a | I3E | 3sz9 | e3sz9D2 | D:271-500 |
| P05091 | n/a | I3E | 3sz9 | e3sz9E1 | E:7-270 |
| P05091 | n/a | I3E | 3sz9 | e3sz9E2 | E:271-500 |
| P05091 | n/a | I3E | 3sz9 | e3sz9F1 | F:271-500 |
| P05091 | n/a | I3E | 3sz9 | e3sz9F2 | F:7-270 |
| P05091 | n/a | I3E | 3sz9 | e3sz9G1 | G:7-270 |
| P05091 | n/a | I3E | 3sz9 | e3sz9G2 | G:271-500 |
| P05091 | n/a | I3E | 3sz9 | e3sz9H1 | H:7-270 |
| P05091 | n/a | I3E | 3sz9 | e3sz9H2 | H:271-500 |