Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(2E,4aR,7aS)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
FNMJFZYRSQTKIH-HXPMCKFVSA-N
SMILES
Cc1c(c(nc(n1)N2CC3C(=O)N(C(=N)NC3(C2)c4ccc(cc4F)F)C)OC)F
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5HE7
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Color Legend
Unassigned regionsLigand / hetero atomse5he7A1e5he7A2e5he7B1e5he7B2