Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-[(5S)-2'-amino-3-(5,6-dihydro-2H-pyran-3-yl)-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-7-yl]-5-chloropyridine-2-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZXMNKHTXDORUCR-VWLOTQADSA-N
SMILES
c1cc2c(cc1NC(=O)c3ccc(cn3)Cl)C4(COC(=N4)N)c5cc(ncc5O2)C6=CCCOC6
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5I3W
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 atomse5i3wA1e5i3wA2