Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XIQAKRFMIYGAIR-XZWHSSHBSA-N
SMILES
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(CNCc3cccc(c3)OC)O)C(=O)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 2P83
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Color Legend
Unassigned regionsLigand / hetero atomse2p83A2e2p83A3e2p83B2e2p83B3e2p83C2e2p83C3
ECOD domains from experimental PDB structures interacting with ligand MR0