Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(1S)-1-[2-(difluoromethyl)pyridin-4-yl]-4-fluoro-1-(3-pyrimidin-5-ylphenyl)-1H-isoindol-3-amine
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MRXBCEQZNKUUIP-DEOSSOPVSA-N
SMILES
c1cc(cc(c1)C2(c3cccc(c3C(=N2)N)F)c4ccnc(c4)C(F)F)c5cncnc5
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4B05
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Color Legend
Unassigned regionsLigand / hetero atomse4b05A2e4b05A3