Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-[(1S,2R)-3-{[(5S)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BAILJXDQIBWAPX-GKRYNVPLSA-N
SMILES
CC(=O)NC(Cc1cc(cc(c1)F)F)C(CNC2(CCc3c(cn[nH]3)C2)c4cccc(c4)C(C)(C)C)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3IVI
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Color Legend
Unassigned regionsLigand / hetero atomse3iviA2e3iviA3e3iviB2e3iviB3e3iviC2e3iviC3
ECOD domains from experimental PDB structures interacting with ligand 2LI