Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
QXNFPOMRKODYSK-IZZNHLLZSA-N
SMILES
CC(=O)NC(Cc1cc(cc(c1)F)F)C(CNC2(CCCCC2)c3cccc(c3)n4cccn4)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3N4L
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Color Legend
Unassigned regionsLigand / hetero atomse3n4lA2e3n4lA3e3n4lB2e3n4lB3e3n4lC2e3n4lC3
ECOD domains from experimental PDB structures interacting with ligand 842
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P56817 | n/a | 842 | 3n4l | e3n4lA2 | A:190-392 |
| P56817 | n/a | 842 | 3n4l | e3n4lA3 | A:4-189 |
| P56817 | n/a | 842 | 3n4l | e3n4lB2 | B:190-393 |
| P56817 | n/a | 842 | 3n4l | e3n4lB3 | B:4-189 |
| P56817 | n/a | 842 | 3n4l | e3n4lC2 | C:190-391 |
| P56817 | n/a | 842 | 3n4l | e3n4lC3 | C:4-189 |
| P56817 | n/a | 842 | 4i0j | e4i0jA2 | A:245-460 |
| P56817 | n/a | 842 | 4i0j | e4i0jA3 | A:58-244 |