DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(4S,4a'R,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1,4a'-dimethyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
RYCBSDWTFORSET-UIFIKXQLSA-N
SMILES
CC12CCCOC1C3(c4cc(ccc4O2)c5cccnc5F)C(=O)N(C(=N3)N)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4RRO
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Color Legend
Unassigned regionsLigand / hetero atomse4rroA1e4rroA2
ECOD domains from experimental PDB structures interacting with ligand 3UX
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817n/a3UX4rroe4rroA1A:60-244
P56817n/a3UX4rroe4rroA2A:245-459