Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZIEVAMMZKBNDFB-AAZBAGLXSA-N
SMILES
CC(C)CNC(=O)C(C(C)O)NCC(C(Cc1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)NC(C)c3ccccc3)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5DQC
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Color Legend
Unassigned regionsLigand / hetero atomse5dqcA1e5dqcA2e5dqcB1e5dqcB2e5dqcC1e5dqcC2
ECOD domains from experimental PDB structures interacting with ligand 5E7