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Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
2-{[(2S)-butan-2-yl]amino}-N-{(1R,2S)-1-hydroxy-3-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
CNZLAHITQXPOEJ-YLTWVVNKSA-N
SMILES
CCC(C)Nc1cc(cc(n1)S(=O)(=O)C)C(=O)NC(Cc2ccccc2)C(C3CCCN3)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 6BFD
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Color Legend
Unassigned regionsLigand / hetero atomse6bfdA1e6bfdA2e6bfdB1e6bfdB2
ECOD domains from experimental PDB structures interacting with ligand DJS
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817n/aDJS6bfde6bfdA1A:184-385
P56817n/aDJS6bfde6bfdA2A:-7-183
P56817n/aDJS6bfde6bfdB1B:184-385
P56817n/aDJS6bfde6bfdB2B:-3-183