Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(4S)-19-acetyl-4-[(1R)-1-hydroxy-2-({1-[3-(propan-2-yl)phenyl]cyclopropyl}amino)ethyl]-11-oxa-3,16-diazatricyclo[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
LUJWXMKDHHFLOK-JHOUSYSJSA-N
SMILES
CC(C)c1cccc(c1)C2(CC2)NCC(C3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)C)C(=O)N3)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5QCO
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Color Legend
Unassigned regionsLigand / hetero atomse5qcoA1e5qcoA2e5qcoB1e5qcoB2e5qcoC1e5qcoC2
ECOD domains from experimental PDB structures interacting with ligand E4A