Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
HIQWWDCRULXYDF-SWROZOJRSA-N
SMILES
CC(c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)NC(Cc3ccccc3)C(CNCc4cccc(c4)OC)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 2VKM
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Color Legend
Unassigned regionsLigand / hetero atomse2vkmA2e2vkmA3e2vkmB2e2vkmB3e2vkmC2e2vkmC3e2vkmD2e2vkmD3
ECOD domains from experimental PDB structures interacting with ligand BSD
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P56817 | n/a | BSD | 2vkm | e2vkmA2 | A:184-385 |
| P56817 | n/a | BSD | 2vkm | e2vkmA3 | A:45P-183 |
| P56817 | n/a | BSD | 2vkm | e2vkmB2 | B:184-385 |
| P56817 | n/a | BSD | 2vkm | e2vkmB3 | B:45P-183 |
| P56817 | n/a | BSD | 2vkm | e2vkmC2 | C:184-385 |
| P56817 | n/a | BSD | 2vkm | e2vkmC3 | C:45P-183 |
| P56817 | n/a | BSD | 2vkm | e2vkmD2 | D:184-385 |
| P56817 | n/a | BSD | 2vkm | e2vkmD3 | D:45P-183 |
| P56817 | n/a | BSD | 5mco | e5mcoA1 | A:55-244 |
| P56817 | n/a | BSD | 5mco | e5mcoA2 | A:245-447 |