Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
FIWCVIADXWJIGF-NFXSCPKSSA-N
SMILES
CCCCNC(=O)C(C)CC(C1CSCC=CCSC2CCCNC2C(=O)NC(C(=O)N1)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: 2F3F
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Color Legend
Unassigned regionsLigand / hetero atomse2f3fA2e2f3fA3e2f3fB2e2f3fB3e2f3fC2e2f3fC3
ECOD domains from experimental PDB structures interacting with ligand AXF
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P56817 | n/a | AXF | 2f3f | e2f3fA2 | A:184-385 |
| P56817 | n/a | AXF | 2f3f | e2f3fA3 | A:46P-183 |
| P56817 | n/a | AXF | 2f3f | e2f3fB2 | B:184-385 |
| P56817 | n/a | AXF | 2f3f | e2f3fB3 | B:46P-183 |
| P56817 | n/a | AXF | 2f3f | e2f3fC2 | C:184-385 |
| P56817 | n/a | AXF | 2f3f | e2f3fC3 | C:46P-183 |
| P56817 | n/a | AXF | 5qcs | e5qcsA1 | A:184-385 |
| P56817 | n/a | AXF | 5qcs | e5qcsA2 | A:-2-183 |
| P56817 | n/a | AXF | 5qcs | e5qcsB1 | B:-2-183 |
| P56817 | n/a | AXF | 5qcs | e5qcsB2 | B:184-385 |
| P56817 | n/a | AXF | 5qcs | e5qcsC1 | C:184-385 |
| P56817 | n/a | AXF | 5qcs | e5qcsC2 | C:-2-183 |