Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-D-threoninamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
DQMUZJCEBNKYBU-PQJSMVLXSA-N
SMILES
CCCN(c1cc2cc(c1)C(=O)NC(Cc3cccc(c3)CCCC2)CNC(C(C)O)C(=O)N=CC(C)C)S(=O)(=O)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 6NV7
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Color Legend
Unassigned regionsLigand / hetero atomse6nv7A1e6nv7A2e6nv7B1e6nv7B2e6nv7C1e6nv7C2
ECOD domains from experimental PDB structures interacting with ligand L3J