Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-[(2S)-1-({(2S,3R)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
DrugBank ID
n/a
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
UZFAOTIMARRSKT-TYUOOWEOSA-N
SMILES
CC(C)CNC(=O)C(C(C)O)NCC(Cc1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)NC(C)c3ccccc3
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4GID
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 atomse4gidA2e4gidA3e4gidB2e4gidB3e4gidC2e4gidC3e4gidD2e4gidD3
ECOD domains from experimental PDB structures interacting with ligand 0GH
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P56817 | n/a | 0GH | 4gid | e4gidA2 | A:232-433 |
| P56817 | n/a | 0GH | 4gid | e4gidA3 | A:47-231 |
| P56817 | n/a | 0GH | 4gid | e4gidB2 | B:232-433 |
| P56817 | n/a | 0GH | 4gid | e4gidB3 | B:47-231 |
| P56817 | n/a | 0GH | 4gid | e4gidC2 | C:232-433 |
| P56817 | n/a | 0GH | 4gid | e4gidC3 | C:46-231 |
| P56817 | n/a | 0GH | 4gid | e4gidD2 | D:232-433 |
| P56817 | n/a | 0GH | 4gid | e4gidD3 | D:47-231 |