Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-[(1S,2R)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
YEGCCSKZPHGALE-LEWJYISDSA-N
SMILES
CC(=O)NC(Cc1cc(cc(c1)F)F)C(CNC2(CC2)c3cc(cs3)CC(C)(C)C)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3NSH
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Color Legend
Unassigned regionsLigand / hetero atomse3nshA2e3nshA3e3nshB2e3nshB3e3nshC2e3nshC3
ECOD domains from experimental PDB structures interacting with ligand 957
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P56817 | n/a | 957 | 3nsh | e3nshA2 | A:190-391 |
| P56817 | n/a | 957 | 3nsh | e3nshA3 | A:4-189 |
| P56817 | n/a | 957 | 3nsh | e3nshB2 | B:190-392 |
| P56817 | n/a | 957 | 3nsh | e3nshB3 | B:4-189 |
| P56817 | n/a | 957 | 3nsh | e3nshC2 | C:190-391 |
| P56817 | n/a | 957 | 3nsh | e3nshC3 | C:4-189 |
| P56817 | n/a | 957 | 4i0i | e4i0iA2 | A:190-391 |
| P56817 | n/a | 957 | 4i0i | e4i0iA3 | A:4-189 |
| P56817 | n/a | 957 | 4i0i | e4i0iB2 | B:190-392 |
| P56817 | n/a | 957 | 4i0i | e4i0iB3 | B:4-189 |
| P56817 | n/a | 957 | 4i0i | e4i0iC2 | C:190-391 |
| P56817 | n/a | 957 | 4i0i | e4i0iC3 | C:4-189 |