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TitleDiscovery of 2,6-Dimethylpiperazines as Allosteric Inhibitors of CPS1.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 11, Page 1305-1309, Year 2020
Publish dateMar 5, 2020 (structure data deposition date)
AuthorsRolfe, A. / Yao, S. / Nguyen, T.V. / Omoto, K. / Colombo, F. / Virrankoski, M. / Vaillancourt, F.H. / Yu, L. / Cook, A. / Reynolds, D. ...Rolfe, A. / Yao, S. / Nguyen, T.V. / Omoto, K. / Colombo, F. / Virrankoski, M. / Vaillancourt, F.H. / Yu, L. / Cook, A. / Reynolds, D. / Ioannidis, S. / Zhu, P. / Larsen, N.A. / Bolduc, D.M.
External linksAcs Med. Chem. Lett. / PubMed:32551016
MethodsX-ray diffraction
Resolution2.62 Å
Structure data

PDB-6w2j:
CPS1 bound to allosteric inhibitor H3B-374
Method: X-RAY DIFFRACTION / Resolution: 2.62 Å

Chemicals

ChemComp-374:
(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone

ChemComp-ZN:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / inhibitor / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex

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