Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(2R,4S)-N-butyl-4-[(5S,8S,10R)-5,10-dimethyl-3,3,6-trioxo-3lambda~6~-thia-7-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-8-yl]-4-hydroxy-2-methylbutanamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
RYVHNXNTYFQKLT-FSQPGOEKSA-N
SMILES
CCCCNC(=O)C(C)CC(C1CC(CCc2cccc(c2)CS(=O)(=O)CC(C(=O)N1)C)C)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5QCU
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Color Legend
Unassigned regionsLigand / hetero atomse5qcuA1e5qcuA2e5qcuB1e5qcuB2e5qcuC1e5qcuC2
ECOD domains from experimental PDB structures interacting with ligand E51