Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(9R,11S)-3-ethyl-11-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MYMHIVTZLXPTIU-LDVROUIZSA-N
SMILES
CCN1CCCCCC(CC(NC(=O)c2cccc(c2)C1=O)C(CNCc3cccc(c3)C(C)C)O)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5QCX
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Color Legend
Unassigned regionsLigand / hetero atomse5qcxA1e5qcxA2e5qcxB1e5qcxB2e5qcxC1e5qcxC2
ECOD domains from experimental PDB structures interacting with ligand E5D