DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-1-ETHYL-4-(2-OXOPYRROLIDIN-1-YL)-1H-INDOLE-6-CARBOXAMIDE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BARAICYUEPEIRD-QCENPCRXSA-N
SMILES
CCn1ccc2c1cc(cc2N3CCCC3=O)C(=O)NC(Cc4ccccc4)C(CNCc5cccc(c5)OC)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 2WEZ
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Color Legend
Unassigned regionsLigand / hetero atomse2wezA2e2wezA3
ECOD domains from experimental PDB structures interacting with ligand ZYE
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817n/aZYE2weze2wezA2A:245-447
P56817n/aZYE2weze2wezA3A:62-244