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TitleDiscovery of OATD-01 , a First-in-Class Chitinase Inhibitor as Potential New Therapeutics for Idiopathic Pulmonary Fibrosis.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 15527-15540, Year 2020
Publish dateJun 16, 2020 (structure data deposition date)
AuthorsKoralewski, R. / Dymek, B. / Mazur, M. / Sklepkiewicz, P. / Olejniczak, S. / Czestkowski, W. / Matyszewski, K. / Andryianau, G. / Niedziejko, P. / Kowalski, M. ...Koralewski, R. / Dymek, B. / Mazur, M. / Sklepkiewicz, P. / Olejniczak, S. / Czestkowski, W. / Matyszewski, K. / Andryianau, G. / Niedziejko, P. / Kowalski, M. / Gruza, M. / Borek, B. / Jedrzejczak, K. / Bartoszewicz, A. / Pluta, E. / Rymaszewska, A. / Kania, M. / Rejczak, T. / Piasecka, S. / Mlacki, M. / Mazurkiewicz, M. / Piotrowicz, M. / Salamon, M. / Zagozdzon, A. / Napiorkowska-Gromadzka, A. / Bartlomiejczak, A. / Mozga, W. / Dobrzanski, P. / Dzwonek, K. / Golab, J. / Nowotny, M. / Olczak, J. / Golebiowski, A.
External linksJ. Med. Chem. / PubMed:33078933
MethodsX-ray diffraction
Resolution1.5 Å
Structure data

PDB-6ze8:
Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound OATD-01
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-QGB:
5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4H-1,2,4-triazol-3-amine

ChemComp-NA:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / chitinase / chitin binding

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