Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
VPNIQGRFZCTBEZ-SPTGULJVSA-N
SMILES
CC(c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)NC(Cc3ccccc3)C(CNC4CC4)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 2B8L
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Color Legend
Unassigned regionsLigand / hetero atomse2b8lA2e2b8lA3
ECOD domains from experimental PDB structures interacting with ligand 5HA