Attributes
UniProt ID
Protein Name
Beta-secretase 2
Ligand Name
N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-10-CARBOXAMIDE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BNWZCXDHHPBQOX-XZWHSSHBSA-N
SMILES
Cc1cccc(c1)CNCC(C(Cc2ccccc2)NC(=O)C3=Cc4ccccc4Oc5c3cccc5)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 2EWY
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Color Legend
Unassigned regionsLigand / hetero atomse2ewyA2e2ewyA3e2ewyB2e2ewyB3e2ewyC2e2ewyC3e2ewyD2e2ewyD3
ECOD domains from experimental PDB structures interacting with ligand DBO
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q9Y5Z0 | n/a | DBO | 2ewy | e2ewyA2 | A:197-398 |
| Q9Y5Z0 | n/a | DBO | 2ewy | e2ewyA3 | A:16-196 |
| Q9Y5Z0 | n/a | DBO | 2ewy | e2ewyB2 | B:197-398 |
| Q9Y5Z0 | n/a | DBO | 2ewy | e2ewyB3 | B:16-196 |
| Q9Y5Z0 | n/a | DBO | 2ewy | e2ewyC2 | C:197-398 |
| Q9Y5Z0 | n/a | DBO | 2ewy | e2ewyC3 | C:16-196 |
| Q9Y5Z0 | n/a | DBO | 2ewy | e2ewyD2 | D:197-398 |
| Q9Y5Z0 | n/a | DBO | 2ewy | e2ewyD3 | D:16-196 |