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Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-[(4aS,6S,8aR)-2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl]-3-chlorobenzamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
TUSBLKXHGGIFCU-KGYLQXTDSA-N
SMILES
c1cc(cc(c1)Cl)C(=O)NC2CCC3C(C2)CSC(=N3)N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 4ZSP
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Color Legend
Unassigned regionsLigand / hetero atomse4zspA1e4zspA2e4zspB1e4zspB2
ECOD domains from experimental PDB structures interacting with ligand 4RZ
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817n/a4RZ4zspe4zspA1A:184-385
P56817n/a4RZ4zspe4zspA2A:-4-183
P56817n/a4RZ4zspe4zspB1B:178-385
P56817n/a4RZ4zspe4zspB2B:-3-177