DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
PGBSGPMEMSPFFE-UHFFFAOYSA-N
SMILES
CN(Cc1cccc(c1)CCc2cccnc2N)Cc3ccco3
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 3KN0
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Color Legend
Unassigned regionsLigand / hetero atomse3kn0A2e3kn0A3e3kn0B2e3kn0B3
ECOD domains from experimental PDB structures interacting with ligand 3TO
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817n/a3TO3kn0e3kn0A2A:245-447
P56817n/a3TO3kn0e3kn0A3A:58-244
P56817n/a3TO3kn0e3kn0B2B:245-446
P56817n/a3TO3kn0e3kn0B3B:58-244