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TitleDevelopment of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 95, Page 129488-129488, Year 2023
Publish dateMay 15, 2023 (structure data deposition date)
AuthorsFnaiche, A. / Melin, L. / Suarez, N.G. / Paquin, A. / Vu, V. / Li, F. / Allali-Hassani, A. / Bolotokova, A. / Allemand, F. / Gelin, M. ...Fnaiche, A. / Melin, L. / Suarez, N.G. / Paquin, A. / Vu, V. / Li, F. / Allali-Hassani, A. / Bolotokova, A. / Allemand, F. / Gelin, M. / Cotelle, P. / Woo, S. / LaPlante, S.R. / Barsyte-Lovejoy, D. / Santhakumar, V. / Vedadi, M. / Guichou, J.F. / Annabi, B. / Gagnon, A.
External linksBioorg. Med. Chem. Lett. / PubMed:37770003
MethodsX-ray diffraction
Resolution1.95 - 2.45 Å
Structure data

PDB-8p29:
TEAD2 in complex with an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

PDB-8poj:
TEAD2 in complex with an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-8pom:
TEAD2 in complex with an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-8pon:
TEAD2 in complex with an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-MYR:
MYRISTIC ACID

ChemComp-GOL:
GLYCEROL

ChemComp-WJC:
5-methyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid

ChemComp-HOH:
WATER

ChemComp-ZUL:
4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid

ChemComp-ZUP:
2-[[3-(2-phenylethoxy)phenyl]amino]pyridine-3-carboxylic acid

ChemComp-ZUT:
4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN / Inhibitor / TEAD / Complex

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