DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(4aR,6R,8aS)-8a-(2,4-difluoro-5-{[(2,2,2-trifluoroethyl)amino]methyl}phenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
KXRWMDHPUURSND-USBNGQNGSA-N
SMILES
c1c(c(cc(c1C23COC(CC2CSC(=N3)N)CF)F)F)CNCC(F)(F)F
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 5T1W
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Color Legend
Unassigned regionsLigand / hetero atomse5t1wA1e5t1wA2
ECOD domains from experimental PDB structures interacting with ligand 74B
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817n/a74B5t1we5t1wA1A:-3-183
P56817n/a74B5t1we5t1wA2A:184-385