Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(3S)-3-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-5-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
NUISAGYICVEVAE-HZFUHODCSA-N
SMILES
CCc1ccc2c(c1)C(CC3(O2)CCC3)NCC(C4Cc5cccc(c5)CCCCCCC(=O)N4)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4KE0
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Color Legend
Unassigned regionsLigand / hetero atomse4ke0A2e4ke0A3e4ke0B2e4ke0B3e4ke0C2e4ke0C3
ECOD domains from experimental PDB structures interacting with ligand 1R8