Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-{N-[4-(acetylamino)-3-chloro-5-methylbenzyl]carbamimidoyl}-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MQPJKTGBSCCWTI-UHFFFAOYSA-N
SMILES
Cc1cc(cc(c1NC(=O)C)Cl)CNC(=N)NC(=O)c2c(snc2c3ccc(cc3)OC)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4FSL
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Color Legend
Unassigned regionsLigand / hetero atomse4fslA2e4fslA3e4fslB2e4fslB3e4fslD2e4fslD3e4fslE2e4fslE3
ECOD domains from experimental PDB structures interacting with ligand 0VB
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P56817 | n/a | 0VB | 4fsl | e4fslA2 | A:232-433 |
| P56817 | n/a | 0VB | 4fsl | e4fslA3 | A:47-231 |
| P56817 | n/a | 0VB | 4fsl | e4fslB2 | B:232-433 |
| P56817 | n/a | 0VB | 4fsl | e4fslB3 | B:47-231 |
| P56817 | n/a | 0VB | 4fsl | e4fslD2 | D:232-433 |
| P56817 | n/a | 0VB | 4fsl | e4fslD3 | D:47-231 |
| P56817 | n/a | 0VB | 4fsl | e4fslE2 | E:232-433 |
| P56817 | n/a | 0VB | 4fsl | e4fslE3 | E:47-231 |