Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide
DrugBank ID
n/a
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
IUSARDYWEPUTPN-OZBXUNDUSA-N
SMILES
CC(C(=O)NC(Cc1cccc(c1)c2nccs2)C(CNC3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4DI2
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Color Legend
Unassigned regionsLigand / hetero atomse4di2A2e4di2A3e4di2B2e4di2B3e4di2C2e4di2C3
ECOD domains from experimental PDB structures interacting with ligand 0K9