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Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MSSOOXCWRUWADA-CZGNIMDHSA-N
SMILES
CCCCC(C(Cc1ccsc1)NC(=O)c2cc(nc(c2)N(C)S(=O)(=O)C)NCC3CC3C)N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 2OAH
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Color Legend
Unassigned regionsLigand / hetero atomse2oahA2e2oahA3
ECOD domains from experimental PDB structures interacting with ligand QIN
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817n/aQIN2oahe2oahA2A:184-385
P56817n/aQIN2oahe2oahA3A:43P-183