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Structure paper

TitleDiscovery of Dimeric Arylsulfonamides as Potent ADAM8 Inhibitors.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 12, Page 1787-1793, Year 2021
Publish dateJun 15, 2021 (structure data deposition date)
AuthorsCuffaro, D. / Camodeca, C. / Tuccinardi, T. / Ciccone, L. / Bartsch, J.W. / Kellermann, T. / Cook, L. / Nuti, E. / Rossello, A.
External linksAcs Med. Chem. Lett. / PubMed:35111280
MethodsX-ray diffraction
Resolution1.24 Å
Structure data

PDB-7ovy:
Crystal structure of a dimeric based inhibitor JG34 in complex with the MMP-12 catalytic domain
Method: X-RAY DIFFRACTION / Resolution: 1.24 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-2IF:
~{N}1,~{N}3-bis[4-[[(4~{R})-4-[[4-[[3,5-bis(bromanyl)phenyl]methoxy]phenyl]sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]amino]-4-oxidanylidene-butyl]benzene-1,3-dicarboxamide

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PGR:
R-1,2-PROPANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Hydrolase / Hydrolase-Inhibitor crystal complex / HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex

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