Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-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
SQCCLROLILAOBD-MLLWAOEYSA-N
SMILES
CC(C)C(C(=O)NCc1ccccc1)NC(=O)C(C)CC(C(COCc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)NC(C)c4ccccc4)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 3IXK
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Color Legend
Unassigned regionsLigand / hetero atomse3ixkA2e3ixkA3e3ixkB2e3ixkB3e3ixkC2e3ixkC3
ECOD domains from experimental PDB structures interacting with ligand 929