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TitleDiscovery of GLPG1972/S201086, a Potent, Selective, and Orally Bioavailable ADAMTS-5 Inhibitor for the Treatment of Osteoarthritis.
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 2937-2952, Year 2021
Publish dateApr 3, 2020 (structure data deposition date)
AuthorsBrebion, F. / Gosmini, R. / Deprez, P. / Varin, M. / Peixoto, C. / Alvey, L. / Jary, H. / Bienvenu, N. / Triballeau, N. / Blanque, R. ...Brebion, F. / Gosmini, R. / Deprez, P. / Varin, M. / Peixoto, C. / Alvey, L. / Jary, H. / Bienvenu, N. / Triballeau, N. / Blanque, R. / Cottereaux, C. / Christophe, T. / Vandervoort, N. / Mollat, P. / Touitou, R. / Leonard, P. / De Ceuninck, F. / Botez, I. / Monjardet, A. / van der Aar, E. / Amantini, D.
External linksJ. Med. Chem. / PubMed:33719441
MethodsX-ray diffraction
Resolution2.25 Å
Structure data

PDB-6yjm:
Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with the Inhibitor GLPG1972
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-OU5:
(5~{S})-5-[3-[(3~{S})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / zinc metalloproteinase / aggrecanase

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