Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(3S,4S,5R)-3-{4-amino-3-fluoro-5-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
GCVKLIOGBJALOK-VPJOFFEXSA-N
SMILES
CC(C)(C)c1cccc(c1)CNC2CS(=O)(=O)CC(C2O)Cc3cc(c(c(c3)F)N)CC(C(F)(F)F)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4D88
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Color Legend
Unassigned regionsLigand / hetero atomse4d88A2e4d88A3