Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propoxypyrrolidin-2-yl]propan-2-yl}-4-phenylbutanamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
LPZOLMFQGUDKQH-ZXWXCOCLSA-N
SMILES
CCCOC1CC(NC1)C(C(Cc2cc(cc(c2)F)F)NC(=O)C(CCc3ccccc3)N4CCC(C4=O)(CC(C)C)NC(=O)C)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3R2F
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Color Legend
Unassigned regionsLigand / hetero atomse3r2fA2e3r2fA3e3r2fB2e3r2fB3e3r2fD2e3r2fD3e3r2fE2e3r2fE3
ECOD domains from experimental PDB structures interacting with ligand PB0
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P56817 | n/a | PB0 | 3r2f | e3r2fA2 | A:184-384 |
| P56817 | n/a | PB0 | 3r2f | e3r2fA3 | A:-1-183 |
| P56817 | n/a | PB0 | 3r2f | e3r2fB2 | B:184-384 |
| P56817 | n/a | PB0 | 3r2f | e3r2fB3 | B:-1-183 |
| P56817 | n/a | PB0 | 3r2f | e3r2fD2 | D:184-384 |
| P56817 | n/a | PB0 | 3r2f | e3r2fD3 | D:-1-183 |
| P56817 | n/a | PB0 | 3r2f | e3r2fE2 | E:184-384 |
| P56817 | n/a | PB0 | 3r2f | e3r2fE3 | E:-1-183 |