DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
FZTXBRKPIRTQCY-QEGDFHJFSA-N
SMILES
CC(C)CNC(=O)C(C)NCC(Cc1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)NC(C)c3ccc(cc3)F
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 2QZL
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Color Legend
Unassigned regionsLigand / hetero atomse2qzlA2e2qzlA3
ECOD domains from experimental PDB structures interacting with ligand IXS
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817n/aIXS2qzle2qzlA2A:184-385