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TitleDesign, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands.
Journal, issue, pagesJ. Med. Chem., Vol. 50, Page 2399-2407, Year 2007
Publish dateMar 12, 2007 (structure data deposition date)
AuthorsGhosh, A.K. / Kumaragurubaran, N. / Hong, L. / Kulkarni, S.S. / Xu, X. / Chang, W. / Weerasena, V. / Turner, R. / Koelsch, G. / Bilcer, G. / Tang, J.
External linksJ. Med. Chem. / PubMed:17432843
MethodsX-ray diffraction
Resolution2.5 Å
Structure data

PDB-2p4j:
Crystal structure of beta-secretase bond to an inhibitor with Isophthalamide Derivatives at P2-P3
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-23I:
N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-2-METHYLPROPYL}AMINO)-4-METHYL-5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / beta-secretase / memapsin / BACE / asp / aspartic protease / acid protease / Alzheimer's disease / drug design / structure based drug design

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