Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(1R,3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethy l]cyclohexanecarboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MFPZDLDVZIAMTN-OKDNLZPVSA-N
SMILES
CC(C)c1cccc(c1)CNCC(C(Cc2ccccc2)NC(=O)C3CCCC(C3)C(C)(C)N4CCCCC4=O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 3K5G
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Color Legend
Unassigned regionsLigand / hetero atomse3k5gA2e3k5gA3e3k5gB2e3k5gB3e3k5gC2e3k5gC3
ECOD domains from experimental PDB structures interacting with ligand BJC