Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-PHENOXYMETHYL)-2-HYDROXY-4-METHOXY-BUTYL]-5-(METHANES ULFONYL-METHYL-AMINO)-N'-(1-PHENYLETHYL)-ISOPHTHALAMIDE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
IEIHXPJWOSDLBU-VWMOWEEZSA-N
SMILES
CC(C)C(C(=O)NCc1ccccc1)NC(=O)C(CC(C(COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)NC(C)c4ccccc4)O)OC
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3IXJ
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Color Legend
Unassigned regionsLigand / hetero atomse3ixjA2e3ixjA3e3ixjB2e3ixjB3e3ixjC2e3ixjC3
ECOD domains from experimental PDB structures interacting with ligand 586