Title : Application of fragment-based NMR screening, X-ray crystallography, structure-based design, and focused chemical library design to identify novel microM leads for the development of nM BACE-1 (beta-site APP cleaving enzyme 1) inhibitors.

Pub. Date : 2010 Feb 11

PMID : 20043700






1 Functional Relationships(s)
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Protein Name
Organism
1 NMR data and the crystal structure revealed that this hit makes H-bond interactions with the two catalytic aspartates, occupies the nonprime side region of the active site of BACE-1, and extends toward the S3 subpocket (S3sp). Aspartic Acid beta-secretase 1 Homo sapiens