Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(2R,4S)-N-butyl-4-[(4S,6R)-16-ethoxy-12-ethyl-6-methyl-2,13-dioxo-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-trien-4-yl]-4-hydroxy-2-methylbutanamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
SQQOMEGTQPPAAA-SZUBIPLGSA-N
SMILES
CCCCNC(=O)C(C)CC(C1CC(CCCCCN(C(=O)c2cc(cc(c2)OCC)C(=O)N1)CC)C)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5QCT
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Color Legend
Unassigned regionsLigand / hetero atomse5qctA1e5qctA2e5qctB1e5qctB2e5qctC1e5qctC2
ECOD domains from experimental PDB structures interacting with ligand E4Y