Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-[N-(4-amino-3,5-dichlorobenzyl)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
DPJQBOWFYJTIJB-UHFFFAOYSA-N
SMILES
Cc1c(c(ns1)c2ccc(cc2)OC)C(=O)NC(=N)NCc3cc(c(c(c3)Cl)N)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4FSE
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Color Legend
Unassigned regionsLigand / hetero atomse4fseA2e4fseA3e4fseB2e4fseB3e4fseD2e4fseD3e4fseE2e4fseE3
ECOD domains from experimental PDB structures interacting with ligand 0VA
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P56817 | n/a | 0VA | 4fse | e4fseA2 | A:232-433 |
| P56817 | n/a | 0VA | 4fse | e4fseA3 | A:47-231 |
| P56817 | n/a | 0VA | 4fse | e4fseB2 | B:232-433 |
| P56817 | n/a | 0VA | 4fse | e4fseB3 | B:47-231 |
| P56817 | n/a | 0VA | 4fse | e4fseD2 | D:232-433 |
| P56817 | n/a | 0VA | 4fse | e4fseD3 | D:47-231 |
| P56817 | n/a | 0VA | 4fse | e4fseE2 | E:232-433 |
| P56817 | n/a | 0VA | 4fse | e4fseE3 | E:47-231 |