Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XKXGRRZAMDHVGR-CPCREDONSA-N
SMILES
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(C3C(=O)N(CCN3)Cc4ccccc4)O)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3CIC
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Color Legend
Unassigned regionsLigand / hetero atomse3cicA2e3cicA3e3cicB2e3cicB3