DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-[3-[(4S,6S)-2-azanyl-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JRPAQOLQALFUAQ-GUYCJALGSA-N
SMILES
CC1(CC(SC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 6JT4
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Color Legend
Unassigned regionsLigand / hetero atomse6jt4A1e6jt4A2
ECOD domains from experimental PDB structures interacting with ligand C86
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817n/aC866jt4e6jt4A1A:-3-183
P56817n/aC866jt4e6jt4A2A:184-385