Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(4S)-1,4-dibenzyl-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
DCJGHBWTJFHQCR-UEHMVRIRSA-N
SMILES
CN(C)c1cccc(c1)CNCC(C(Cc2ccccc2)NC(=O)C3(CN(C(=O)N3)Cc4ccccc4)Cc5ccccc5)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3CKR
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Color Legend
Unassigned regionsLigand / hetero atomse3ckrA2e3ckrA3e3ckrB2e3ckrB3e3ckrC2e3ckrC3
ECOD domains from experimental PDB structures interacting with ligand 009