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TitleStructure-Activity Relationship in Pyrazolo[4,3-c]pyridines, First Inhibitors of PEX14-PEX5 Protein-Protein Interaction with Trypanocidal Activity.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 847-879, Year 2020
Publish dateSep 2, 2019 (structure data deposition date)
AuthorsDawidowski, M. / Kalel, V.C. / Napolitano, V. / Fino, R. / Schorpp, K. / Emmanouilidis, L. / Lenhart, D. / Ostertag, M. / Kaiser, M. / Kolonko, M. ...Dawidowski, M. / Kalel, V.C. / Napolitano, V. / Fino, R. / Schorpp, K. / Emmanouilidis, L. / Lenhart, D. / Ostertag, M. / Kaiser, M. / Kolonko, M. / Tippler, B. / Schliebs, W. / Dubin, G. / Maser, P. / Tetko, I.V. / Hadian, K. / Plettenburg, O. / Erdmann, R. / Sattler, M. / Popowicz, G.M.
External linksJ. Med. Chem. / PubMed:31860309
MethodsX-ray diffraction
Resolution1.2 Å
Structure data

PDB-6spt:
High resolution crystal structure of N-terminal domain of PEX14 from Trypanosoma brucei in complex with the fist compound with sub-micromolar trypanocidal activity
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

Chemicals

ChemComp-FTW:
5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide

ChemComp-BME:
BETA-MERCAPTOETHANOL

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • trypanosoma brucei brucei (eukaryote)
KeywordsSIGNALING PROTEIN / PEX5-PEX14 protein protein inhibitor / HAT / peroxisome / Trypanosoma

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