Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JEEOUWBWJFSMIP-IOWSJCHKSA-N
SMILES
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(CNCc3cccc(c3)OC)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: 2QK5
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Color Legend
Unassigned regionsLigand / hetero atomse2qk5A2e2qk5A3e2qk5B2e2qk5B3
ECOD domains from experimental PDB structures interacting with ligand CS5
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P56817 | n/a | CS5 | 2qk5 | e2qk5A2 | A:245-447 |
| P56817 | n/a | CS5 | 2qk5 | e2qk5A3 | A:53-244 |
| P56817 | n/a | CS5 | 2qk5 | e2qk5B2 | B:245-446 |
| P56817 | n/a | CS5 | 2qk5 | e2qk5B3 | B:58-244 |
| P56817 | n/a | CS5 | 3l58 | e3l58A2 | A:245-447 |
| P56817 | n/a | CS5 | 3l58 | e3l58A3 | A:53-244 |
| P56817 | n/a | CS5 | 3l58 | e3l58B2 | B:245-446 |
| P56817 | n/a | CS5 | 3l58 | e3l58B3 | B:58-244 |