DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
GPMRAYXRPZKTFK-URLMMPGGSA-N
SMILES
CCNc1cc(cc(c1)N2CCCCS2(=O)=O)C(=O)NC(Cc3ccccc3)C(CNCc4cccc(c4)C(F)(F)F)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 2VNM
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Color Legend
Unassigned regionsLigand / hetero atomse2vnmA2e2vnmA3
ECOD domains from experimental PDB structures interacting with ligand CM8
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817n/aCM82vnme2vnmA3A:62-244