Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
PZHFCAIXAVDQAK-STQWGSIPSA-N
SMILES
CCCN(CCC)C(=O)c1cccc(c1)C(=O)NC(Cc2ccccc2)C(CC(C)C(=O)Nc3ccc(cc3)F)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 2FDP
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse2fdpA2e2fdpA3e2fdpB2e2fdpB3e2fdpC2e2fdpC3
ECOD domains from experimental PDB structures interacting with ligand FRP