Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JJJDOYFRIVNWHV-WUCUQKTKSA-N
SMILES
CC(C)CC1(CCN(C1=O)C(CCc2ccccc2)C(=O)NC(Cc3cc(cc(c3)F)F)C(C4Cc5ccccc5CN4)O)NC(=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: 3SKG
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 atomse3skgA2e3skgA3e3skgB2e3skgB3e3skgD2e3skgD3e3skgE2e3skgE3
ECOD domains from experimental PDB structures interacting with ligand PB8
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P56817 | n/a | PB8 | 3skg | e3skgA2 | A:184-384 |
| P56817 | n/a | PB8 | 3skg | e3skgA3 | A:-1-183 |
| P56817 | n/a | PB8 | 3skg | e3skgB2 | B:184-384 |
| P56817 | n/a | PB8 | 3skg | e3skgB3 | B:-1-183 |
| P56817 | n/a | PB8 | 3skg | e3skgD2 | D:184-384 |
| P56817 | n/a | PB8 | 3skg | e3skgD3 | D:-1-183 |
| P56817 | n/a | PB8 | 3skg | e3skgE2 | E:184-384 |
| P56817 | n/a | PB8 | 3skg | e3skgE3 | E:-1-183 |