Attributes
UniProt ID
Protein Name
Aldehyde dehydrogenase 1A1
Ligand Name
8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
AGUUKKXWABRVBZ-UHFFFAOYSA-N
SMILES
CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)c4ccco4
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4WP7
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Color Legend
Unassigned regionsLigand / hetero atomse4wp7A1e4wp7A2