Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(10S,12S)-17-chloro-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-10-methyl-7-oxa-2,13,18-triazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MHXXUEKCLLRUIA-DCEDVJGZSA-N
SMILES
CC1CCOCCCCNc2cc(cc(n2)Cl)C(=O)NC(C1)C(CNCc3cccc(c3)C(C)C)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5QD5
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Color Legend
Unassigned regionsLigand / hetero atomse5qd5A1e5qd5A2e5qd5B1e5qd5B2e5qd5C1e5qd5C2
ECOD domains from experimental PDB structures interacting with ligand E6P