Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
BENZYL [(1S)-2-({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)-2-OXO-1-{[(1-PROPYLBUTYL)SULFONYL]METHYL}ETHYL]CARBAMATE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
FJYALDRNDKNYKU-LBFZIJHGSA-N
SMILES
CCCC(CCC)S(=O)(=O)CC(C(=O)NC(Cc1ccccc1)C(CNCc2cccc(c2)OC)O)NC(=O)OCc3ccccc3
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 2HIZ
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Color Legend
Unassigned regionsLigand / hetero atomse2hizA2e2hizA3e2hizB2e2hizB3e2hizC2e2hizC3
ECOD domains from experimental PDB structures interacting with ligand LIJ