Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(2R,4S,5S)-N-butyl-4-hydroxy-2,7-dimethyl-5-{[N-(4-methylpentanoyl)-L-methionyl]amino}octanamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XTRMRNMVFXWTCC-MLNNCEHLSA-N
SMILES
CCCCNC(=O)C(C)CC(C(CC(C)C)NC(=O)C(CCSC)NC(=O)CCC(C)C)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3DUY
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Color Legend
Unassigned regionsLigand / hetero atomse3duyA2e3duyA3e3duyB2e3duyB3e3duyC2e3duyC3
ECOD domains from experimental PDB structures interacting with ligand AFJ
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P56817 | n/a | AFJ | 3duy | e3duyA2 | A:184-385 |
| P56817 | n/a | AFJ | 3duy | e3duyA3 | A:46P-183 |
| P56817 | n/a | AFJ | 3duy | e3duyB2 | B:184-385 |
| P56817 | n/a | AFJ | 3duy | e3duyB3 | B:46P-183 |
| P56817 | n/a | AFJ | 3duy | e3duyC2 | C:184-385 |
| P56817 | n/a | AFJ | 3duy | e3duyC3 | C:46P-183 |
| P56817 | n/a | AFJ | 5qcq | e5qcqA1 | A:-2-183 |
| P56817 | n/a | AFJ | 5qcq | e5qcqA2 | A:184-385 |
| P56817 | n/a | AFJ | 5qcq | e5qcqB1 | B:184-385 |
| P56817 | n/a | AFJ | 5qcq | e5qcqB2 | B:-2-183 |
| P56817 | n/a | AFJ | 5qcq | e5qcqC1 | C:-2-183 |
| P56817 | n/a | AFJ | 5qcq | e5qcqC2 | C:184-385 |