Attributes
UniProt ID
Protein Name
Aldehyde dehydrogenase 1A1
Ligand Name
ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
SKDRHRAYBYQVNU-UHFFFAOYSA-N
SMILES
CCOC(=O)CSC1=Nc2c3ccccc3sc2C(=O)N1CCCN4CCCC4
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4X4L
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Color Legend
Unassigned regionsLigand / hetero atomse4x4lA1e4x4lA2