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TitleMacrocyclic Carbon-Linked Pyrazoles As Novel Inhibitors of MCL-1.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 14, Page 955-961, Year 2023
Publish dateMay 17, 2023 (structure data deposition date)
AuthorsDemin, S. / Peschiulli, A. / Velter, A.I. / Vos, A. / De Boeck, B. / Miller, B. / Rombouts, F.J.R. / Reuillon, T. / Lento, W. / Blanco, M.D. ...Demin, S. / Peschiulli, A. / Velter, A.I. / Vos, A. / De Boeck, B. / Miller, B. / Rombouts, F.J.R. / Reuillon, T. / Lento, W. / Blanco, M.D. / Jouffroy, M. / Steyvers, H. / Bekkers, M. / Altrocchi, C. / Pietrak, B. / Koo, S.J. / Szewczuk, L. / Attar, R. / Philippar, U.
External linksAcs Med. Chem. Lett. / PubMed:37465311
MethodsX-ray diffraction
Resolution1.47 Å
Structure data

PDB-8svy:
MBP-Mcl1 in complex with ligand 10
Method: X-RAY DIFFRACTION / Resolution: 1.47 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-WUC:
(15P)-17-chloro-33-fluoro-12-[(2-methoxyethoxy)methyl]-5,14,22-trimethyl-28-oxa-9-thia-5,6,13,14,22-pentaazaheptacyclo[27.7.1.1~4,7~.0~11,15~.0~16,21~.0~20,24~.0~30,35~]octatriaconta-1(36),4(38),6,11(15),12,16,18,20,23,29(37),30,32,34-tridecaene-23-carboxylic acid

ChemComp-HOH:
WATER

Source
  • escherichia coli (E. coli)
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN / Myeloid cell leukemia 1 / Mcl-1 / B-cell lymphoma 2 / Bcl-2 / BH3 mimetic / Protein-protein interaction / Modulator / Apoptosis / Cancer / Leukemia / Myeloma / Lymphoma

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