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Attributes

UniProt ID
Protein Name
Endothiapepsin
Ligand Name
2-[(1S)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-N,N-dimethylacetamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
FYMMJTVLNAKHEX-AWEZNQCLSA-N
SMILES
CC(=O)N1C=Cc2ccccc2C1CC(=O)N(C)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 4Y3N
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Color Legend
Unassigned regionsLigand / hetero atomse4y3nA1e4y3nA2
ECOD domains from experimental PDB structures interacting with ligand 45V
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P11838n/a45V4y3ne4y3nA1A:1-178
P11838n/a45V4y3ne4y3nA2A:179-330