Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(9R,11S)-11-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-16-(1,3-oxazol-2-yl)-3-[(1R)-1-phenylethyl]-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
WTVYZBOJEASHJM-PMKGPLEQSA-N
SMILES
CC1CCCCCN(C(=O)c2cc(cc(c2)C(=O)NC(C1)C(CNCc3cccc(c3)C(C)C)O)c4ncco4)C(C)c5ccccc5
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5QCY
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Color Legend
Unassigned regionsLigand / hetero atomse5qcyA1e5qcyA2e5qcyB1e5qcyB2e5qcyC1e5qcyC2
ECOD domains from experimental PDB structures interacting with ligand E5P