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3IVH

Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1ABeta-secretase 1polymer40645445.11UniProt (P56817)
Pfam (PF00026)
In PDB
Homo sapiens (human)Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2
2AN-[(1S,2R)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamidenon-polymer472.61Chemie (1LI)
3waterwater18.0249Chemie (HOH)
Sequence modifications
A: 57 - 453 (UniProt: P56817)
PDBExternal DatabaseDetails
Met 56-expression tag
Arg 454-expression tag
Ser 455-expression tag
His 456-expression tag
His 457-expression tag
His 458-expression tag
His 459-expression tag
His 460-expression tag
His 461-expression tag
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains1
Total formula weight45445.1
Non-Polymers*Number of molecules1
Total formula weight472.6
All*Total formula weight45917.7
*Water molecules are not included.

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PDB entries from 2024-07-17

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