Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(10S,13S)-13-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9,10-dimethyl-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
FUURZWWGPRBEOS-QLCOJLISSA-N
SMILES
CC1C(=O)NC(Cc2cccc(c2)OCCCCCC(=O)N1C)C(CNCc3cccc(c3)C(C)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: 5QCV
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Color Legend
Unassigned regionsLigand / hetero atomse5qcvA1e5qcvA2e5qcvB1e5qcvB2e5qcvC1e5qcvC2
ECOD domains from experimental PDB structures interacting with ligand E5A