Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
OOZZVYSXZBAROL-PSUQPPDWSA-N
SMILES
CC(C)(C)c1cccc(c1)CNC2CS(=O)(=O)CC(C2O)Cc3ccc4c(c3)c(c[nH]4)CC(F)F
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3VG1
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Color Legend
Unassigned regionsLigand / hetero atomse3vg1A2e3vg1A3
ECOD domains from experimental PDB structures interacting with ligand 0GT
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P56817 | n/a | 0GT | 3vg1 | e3vg1A2 | A:172-373 |
| P56817 | n/a | 0GT | 3vg1 | e3vg1A3 | A:-2-171 |
| P56817 | n/a | 0GT | 4d83 | e4d83A2 | A:173-374 |
| P56817 | n/a | 0GT | 4d83 | e4d83A3 | A:-2-172 |
| P56817 | n/a | 0GT | 4d83 | e4d83B2 | B:173-374 |
| P56817 | n/a | 0GT | 4d83 | e4d83B3 | B:-2-172 |
| P56817 | n/a | 0GT | 4d83 | e4d83C2 | C:173-374 |
| P56817 | n/a | 0GT | 4d83 | e4d83C3 | C:-2-172 |