Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(5S,8S,10R)-8-[(1R)-2-{[1-(3-tert-butylphenyl)cyclopropyl]amino}-1-hydroxyethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
DTTFGMDFRQRNPI-GXVHRJHYSA-N
SMILES
CC1CCCCCCOCC(=O)N(C(C(=O)NC(C1)C(CNC2(CC2)c3cccc(c3)C(C)(C)C)O)C)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5QD9
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Color Legend
Unassigned regionsLigand / hetero atomse5qd9A1e5qd9A2e5qd9B1e5qd9B2e5qd9C1e5qd9C2
ECOD domains from experimental PDB structures interacting with ligand E6Y