Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(4S)-4-(2-hydroxy-5-{[(3S,4S,5R)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2H-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JYNDAPHZRSRSGI-KAHNYGAISA-N
SMILES
CCCN1C(COC1=O)Cc2cc(ccc2O)CC3CS(=O)(=O)CC(C3O)NCc4cccc(c4)C(C)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 3QBH
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 atomse3qbhA2e3qbhA3e3qbhB2e3qbhB3e3qbhC2e3qbhC3
ECOD domains from experimental PDB structures interacting with ligand QBH