Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
{(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
YFVXRNZNJJXEKV-DYASFXQMSA-N
SMILES
CCCCNC(=O)C(C(C)C)NC(=O)C(C)CC(C1CSCC=CCSCC(C(=O)NC(C(=O)N1)C)NC(=O)OC(C)(C)C)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 2F3E
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Color Legend
Unassigned regionsLigand / hetero atomse2f3eA2e2f3eA3e2f3eB2e2f3eB3e2f3eC2e2f3eC3
ECOD domains from experimental PDB structures interacting with ligand AXQ
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P56817 | n/a | AXQ | 2f3e | e2f3eA2 | A:184-385 |
| P56817 | n/a | AXQ | 2f3e | e2f3eA3 | A:46P-183 |
| P56817 | n/a | AXQ | 2f3e | e2f3eB2 | B:184-385 |
| P56817 | n/a | AXQ | 2f3e | e2f3eB3 | B:46P-183 |
| P56817 | n/a | AXQ | 2f3e | e2f3eC2 | C:184-385 |
| P56817 | n/a | AXQ | 2f3e | e2f3eC3 | C:46P-183 |
| P56817 | n/a | AXQ | 5qd4 | e5qd4A1 | A:184-385 |
| P56817 | n/a | AXQ | 5qd4 | e5qd4A2 | A:-2-183 |
| P56817 | n/a | AXQ | 5qd4 | e5qd4B1 | B:-2-183 |
| P56817 | n/a | AXQ | 5qd4 | e5qd4B2 | B:184-385 |
| P56817 | n/a | AXQ | 5qd4 | e5qd4C1 | C:184-385 |
| P56817 | n/a | AXQ | 5qd4 | e5qd4C2 | C:-2-183 |