Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(methoxymethyl)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
NGMBHSPURAEOBG-AJQTZOPKSA-N
SMILES
CC(C)c1cccc(c1)CNCC(C2Cc3cccc(c3)OCCCCOc4cc(cc(c4)C(=O)N2)COC)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5QD2
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Color Legend
Unassigned regionsLigand / hetero atomse5qd2A1e5qd2A2e5qd2B1e5qd2B2e5qd2C1e5qd2C2
ECOD domains from experimental PDB structures interacting with ligand E6J