Attributes
UniProt ID
Protein Name
Aldehyde dehydrogenase 1A1
Ligand Name
1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
RUAITRBXVQXTLB-CYBMUJFWSA-N
SMILES
CCCCCC(=O)N1CC(c2c1cc(c3c2cccc3)O)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5AC0
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Color Legend
Unassigned regionsLigand / hetero atomse5ac0A1e5ac0A2e5ac0B1e5ac0B2
ECOD domains from experimental PDB structures interacting with ligand K9P
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P51977 | n/a | K9P | 5ac0 | e5ac0A1 | A:271-500 |
| P51977 | n/a | K9P | 5ac0 | e5ac0A2 | A:7-270 |
| P51977 | n/a | K9P | 5ac0 | e5ac0B1 | B:7-270 |
| P51977 | n/a | K9P | 5ac0 | e5ac0B2 | B:271-500 |
| P51977 | n/a | K9P | 5ac1 | e5ac1A1 | A:271-500 |
| P51977 | n/a | K9P | 5ac1 | e5ac1A2 | A:7-270 |
| P51977 | n/a | K9P | 5ac1 | e5ac1B1 | B:271-500 |
| P51977 | n/a | K9P | 5ac1 | e5ac1B2 | B:7-270 |
| P51977 | n/a | K9P | 5ac1 | e5ac1C1 | C:271-500 |
| P51977 | n/a | K9P | 5ac1 | e5ac1C2 | C:7-270 |
| P51977 | n/a | K9P | 5ac1 | e5ac1D1 | D:271-500 |
| P51977 | n/a | K9P | 5ac1 | e5ac1D2 | D:7-270 |