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TitlePhthalazinone-based lactams and cyclic ureas as ROCK2 selective inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 88, Page 129304-129304, Year 2023
Publish dateMar 6, 2023 (structure data deposition date)
AuthorsHu, Z. / Sitkoff, D. / Glunz, P.W. / Zou, Y. / Wang, C. / Muckelbauer, J.K. / Adam, L.P. / Wexler, R.R. / Quan, M.L.
External linksBioorg. Med. Chem. Lett. / PubMed:37119973
MethodsX-ray diffraction
Resolution2.71 Å
Structure data

PDB-8gds:
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH 4-(4-(2-(2,3-DIHYDRO-1H- INDOL-1-YL)-2-OXOETHYL)PHENYL)-1(2H)-PHTHALAZINONE
Method: X-RAY DIFFRACTION / Resolution: 2.71 Å

Chemicals

ChemComp-Z8O:
4-{4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]phenyl}phthalazin-1(2H)-one

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / ROCK-2 / RHO KINASE 2 / RHO-ASSOCIATED / COILED-COIL-CONTAINING PROTEIN KINASE II / kinase / ligand inhibitor

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