Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}butan-2-yl]-6-oxo-5-(2-oxopyrrolidin-1-yl)-1,6-dihydropyridine-3-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
QKLJNYJRYSKKKP-LMSSTIIKSA-N
SMILES
c1ccc(cc1)CC(C(CNCc2cccc(c2)C(F)(F)F)O)NC(=O)C3=CN(C(=O)C(=C3)N4CCCC4=O)C5CCCC5
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4K9H
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Color Legend
Unassigned regionsLigand / hetero atomse4k9hA2e4k9hA3e4k9hB2e4k9hB3e4k9hC2e4k9hC3
ECOD domains from experimental PDB structures interacting with ligand 1QU