DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
VXIOVOURIXSOTD-UHFFFAOYSA-N
SMILES
CC(=O)Nc1ccc(cc1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 3FKT
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 atomse3fktA2e3fktA3
ECOD domains from experimental PDB structures interacting with ligand SII
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817n/aSII3fkte3fktA2A:204-403
P56817n/aSII3fkte3fktA3A:17-203