Attributes
UniProt ID
Protein Name
Beta-secretase 2
Ligand Name
2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
HHKZCCWKTZRCCL-UHFFFAOYSA-N
SMILES
C(CNC(CO)(CO)CO)CNC(CO)(CO)CO
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 3ZKG
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 atomse3zkgA2e3zkgA3e3zkgB2e3zkgB3
ECOD domains from experimental PDB structures interacting with ligand DB02676
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q9Y5Z0 | DB02676 | B3P | 3zkg | e3zkgA2 | A:197-397 |
| Q9Y5Z0 | DB02676 | B3P | 3zkg | e3zkgA3 | A:14-196 |
| Q9Y5Z0 | DB02676 | B3P | 3zkq | e3zkqA2 | A:197-398 |
| Q9Y5Z0 | DB02676 | B3P | 3zkq | e3zkqA3 | A:13-196 |
| Q9Y5Z0 | DB02676 | B3P | 4bel | e4belA2 | A:197-397 |
| Q9Y5Z0 | DB02676 | B3P | 4bel | e4belA3 | A:14-196 |
| Q9Y5Z0 | DB02676 | B3P | 4bel | e4belB2 | B:197-397 |
| Q9Y5Z0 | DB02676 | B3P | 4bel | e4belB3 | B:14-196 |
| Q9Y5Z0 | DB02676 | B3P | 4bfb | e4bfbB2 | B:197-397 |
| Q9Y5Z0 | DB02676 | B3P | 4bfb | e4bfbB3 | B:15-196 |