DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)-5-propoxybenzamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
OCMGZBXBWVXWRJ-KEPSJGTLSA-N
SMILES
CCCOc1cc(cc(c1)N2C=CCC2=O)C(=O)NC(Cc3ccccc3)C(CNC(C)C(=O)NC4CCCCC4)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 2VIZ
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Color Legend
Unassigned regionsLigand / hetero atomse2vizA2e2vizA3
ECOD domains from experimental PDB structures interacting with ligand VG4
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817n/aVG42vize2vizA2A:245-447
P56817n/aVG42vize2vizA3A:62-244