Attributes
UniProt ID
Protein Name
Aldehyde dehydrogenase 1A1
Ligand Name
1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
IOCDTSBNIYANHP-UHFFFAOYSA-N
SMILES
CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)C(=O)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4WPN
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Color Legend
Unassigned regionsLigand / hetero atomse4wpnA1e4wpnA2