DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]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
OAOKRIOFVOASEG-OWHBQTKESA-N
SMILES
CCNc1cc(cc(c1)N2CCCCS2(=O)=O)C(=O)NC(Cc3ccccc3)C(CNC4CCCc5c4cccc5)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 2VIJ
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Color Legend
Unassigned regionsLigand / hetero atomse2vijA2e2vijA3
ECOD domains from experimental PDB structures interacting with ligand C44
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817n/aC442vije2vijA2A:245-447