Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
2-fluoro-5-{5-[(2E,4aR,7aR)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
DWVJKKOFIHHAKC-UUOWRZLLSA-N
SMILES
CN1C(=O)C2CN(CC2(NC1=N)c3ccc(s3)c4ccc(c(c4)C#N)F)c5ccccc5
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4H3J
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Color Legend
Unassigned regionsLigand / hetero atomse4h3jA2e4h3jA3e4h3jB2e4h3jB3