Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
LHBBUGLYVFZUTH-GXVHRJHYSA-N
SMILES
CC1CCCCCCCCC(=O)N(C(C(=O)NC(C1)C(CNCc2cccc(c2)C(C)C)O)C)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3DV5
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Color Legend
Unassigned regionsLigand / hetero atomse3dv5A2e3dv5A3e3dv5B2e3dv5B3e3dv5C2e3dv5C3
ECOD domains from experimental PDB structures interacting with ligand BAV
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P56817 | n/a | BAV | 3dv5 | e3dv5A2 | A:184-385 |
| P56817 | n/a | BAV | 3dv5 | e3dv5A3 | A:46P-183 |
| P56817 | n/a | BAV | 3dv5 | e3dv5B2 | B:184-385 |
| P56817 | n/a | BAV | 3dv5 | e3dv5B3 | B:46P-183 |
| P56817 | n/a | BAV | 3dv5 | e3dv5C2 | C:184-385 |
| P56817 | n/a | BAV | 3dv5 | e3dv5C3 | C:46P-183 |
| P56817 | n/a | BAV | 5qdb | e5qdbA1 | A:184-385 |
| P56817 | n/a | BAV | 5qdb | e5qdbA2 | A:-2-183 |
| P56817 | n/a | BAV | 5qdb | e5qdbB1 | B:-2-183 |
| P56817 | n/a | BAV | 5qdb | e5qdbB2 | B:184-385 |
| P56817 | n/a | BAV | 5qdb | e5qdbC1 | C:-2-183 |
| P56817 | n/a | BAV | 5qdb | e5qdbC2 | C:184-385 |