Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
OFAZWNGNAATRSH-GWCXRDAXSA-N
SMILES
Cc1cc(n(n1)COC(=O)NC(CS(=O)(=O)C)C(=O)NC(CC(C)C)C(CC(C)C(=O)NC(C(C)C)C(=O)NCC(C)C)O)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 2G94
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Color Legend
Unassigned regionsLigand / hetero atomse2g94A2e2g94A3e2g94B2e2g94B3e2g94C2e2g94C3e2g94D2e2g94D3
ECOD domains from experimental PDB structures interacting with ligand ZPQ
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P56817 | n/a | ZPQ | 2g94 | e2g94A2 | A:184-385 |
| P56817 | n/a | ZPQ | 2g94 | e2g94A3 | A:45P-183 |
| P56817 | n/a | ZPQ | 2g94 | e2g94B2 | B:184-385 |
| P56817 | n/a | ZPQ | 2g94 | e2g94B3 | B:45P-183 |
| P56817 | n/a | ZPQ | 2g94 | e2g94C2 | C:184-385 |
| P56817 | n/a | ZPQ | 2g94 | e2g94C3 | C:45P-183 |
| P56817 | n/a | ZPQ | 2g94 | e2g94D2 | D:184-385 |
| P56817 | n/a | ZPQ | 2g94 | e2g94D3 | D:45P-183 |