Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(2R)-5-{[(2S,3R)-4-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]amino}-2-hydroxy-5-oxopentanoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZQBAKJWCBZPMKW-OYUWMTPXSA-N
SMILES
CC(C)(C)c1cccc(c1)C2(CCCCC2)NCC(C(Cc3cc(cc(c3)F)F)NC(=O)CCC(C(=O)O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4I0H
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Color Legend
Unassigned regionsLigand / hetero atomse4i0hA2e4i0hA3e4i0hB2e4i0hB3e4i0hC2e4i0hC3
ECOD domains from experimental PDB structures interacting with ligand 1BL