Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZGUINBOSNMEMBB-VOJFVSQTSA-N
SMILES
Cc1c(c(nc(n1)N2CC3C(=O)N(C(=N)NC3(C2)c4ccc(s4)C#N)C)NC)F
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5HE5
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Color Legend
Unassigned regionsLigand / hetero atomse5he5A1e5he5A2e5he5B1e5he5B2