Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(1R,3S)-3-[1-(acetylamino)-1-methylethyl]-N-[(1S,2S,4R)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
NGUMIHCAWWHVPZ-MTKOPPBXSA-N
SMILES
CCCCNC(=O)C(C)CC(C(Cc1ccccc1)NC(=O)C2CCCC(C2)C(C)(C)NC(=O)C)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3K5F
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Color Legend
Unassigned regionsLigand / hetero atomse3k5fA2e3k5fA3e3k5fB2e3k5fB3e3k5fC2e3k5fC3
ECOD domains from experimental PDB structures interacting with ligand AYH