Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZUIGWVKXPZANDI-MJCUULBUSA-N
SMILES
CCCCNC(=O)C(C)CC(C1CC(CCCCCCCC(=O)NC(C(=O)N1)C)C)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3DV1
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Color Legend
Unassigned regionsLigand / hetero atomse3dv1A2e3dv1A3e3dv1B2e3dv1B3e3dv1C2e3dv1C3
ECOD domains from experimental PDB structures interacting with ligand AR9
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P56817 | n/a | AR9 | 3dv1 | e3dv1A2 | A:184-385 |
| P56817 | n/a | AR9 | 3dv1 | e3dv1A3 | A:46P-183 |
| P56817 | n/a | AR9 | 3dv1 | e3dv1B2 | B:184-386 |
| P56817 | n/a | AR9 | 3dv1 | e3dv1B3 | B:46P-183 |
| P56817 | n/a | AR9 | 3dv1 | e3dv1C2 | C:184-385 |
| P56817 | n/a | AR9 | 3dv1 | e3dv1C3 | C:46P-183 |
| P56817 | n/a | AR9 | 5qcw | e5qcwA1 | A:-2-183 |
| P56817 | n/a | AR9 | 5qcw | e5qcwA2 | A:184-385 |
| P56817 | n/a | AR9 | 5qcw | e5qcwB1 | B:-2-183 |
| P56817 | n/a | AR9 | 5qcw | e5qcwB2 | B:184-386 |
| P56817 | n/a | AR9 | 5qcw | e5qcwC1 | C:-2-183 |
| P56817 | n/a | AR9 | 5qcw | e5qcwC2 | C:184-385 |