Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MSHYGGHZTGSTOG-LMSSTIIKSA-N
SMILES
CCc1cn2c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)NC(Cc4ccccc4)C(CNCc5cccc(c5)C(F)(F)F)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 2VNN
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Color Legend
Unassigned regionsLigand / hetero atomse2vnnA2e2vnnA3