Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(10R,12S)-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
UGCIUWIDOWOQSA-XGJRVREISA-N
SMILES
CC1CCCCCCCNc2cc(cc(c2)C(=O)NC(C1)C(CNCc3cccc(c3)C(C)C)O)COC
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5QD3
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Color Legend
Unassigned regionsLigand / hetero atomse5qd3A1e5qd3A2e5qd3B1e5qd3B2e5qd3C1e5qd3C2
ECOD domains from experimental PDB structures interacting with ligand E6M