Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
NDEIDRFQAYLHLT-CBQOVEMMSA-N
SMILES
c1cc(cc(c1)C2CC2)CNC3CS(=O)(=O)CC(C3O)Cc4ccc(c(c4)Br)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 3PI5
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Color Legend
Unassigned regionsLigand / hetero atomse3pi5A2e3pi5A3e3pi5B2e3pi5B3e3pi5C2e3pi5C3
ECOD domains from experimental PDB structures interacting with ligand 3P5