Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
LWVMTILRDSZVMA-CYFREDJKSA-N
SMILES
CN1C(=O)C2CN(CC2(NC1=N)c3cc(cs3)c4cccc(c4)C#N)c5c(cccn5)C#N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4H3G
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Color Legend
Unassigned regionsLigand / hetero atomse4h3gA2e4h3gA3e4h3gB2e4h3gB3