DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BFGQEVKVRRYAQC-IFEDNLKFSA-N
SMILES
CC1CC1COC(C)(C)C2CC2C34CN(CC3CSC(=N4)N)c5ncccn5
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 6UWV
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Color Legend
Unassigned regionsLigand / hetero atomse6uwvA1e6uwvA2e6uwvB1e6uwvB2
ECOD domains from experimental PDB structures interacting with ligand QK7
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817n/aQK76uwve6uwvA1A:-5-183
P56817n/aQK76uwve6uwvA2A:184-385
P56817n/aQK76uwve6uwvB1B:-3-183
P56817n/aQK76uwve6uwvB2B:184-385