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TitleOptimization of a Class of Dihydrobenzofurane Analogs toward Orally Efficacious YAP-TEAD Protein-Protein Interaction Inhibitors.
Journal, issue, pagesChemmedchem, Vol. 18, Page e202300051-e202300051, Year 2023
Publish dateJan 24, 2023 (structure data deposition date)
AuthorsSellner, H. / Chapeau, E. / Furet, P. / Voegtle, M. / Salem, B. / Le Douget, M. / Bordas, V. / Groell, J.M. / Le Goff, A.L. / Rouzet, C. ...Sellner, H. / Chapeau, E. / Furet, P. / Voegtle, M. / Salem, B. / Le Douget, M. / Bordas, V. / Groell, J.M. / Le Goff, A.L. / Rouzet, C. / Wietlisbach, T. / Zimmermann, T. / McKenna, J. / Brocklehurst, C.E. / Chene, P. / Wartmann, M. / Scheufler, C. / Kallen, J. / Williams, G. / Harlfinger, S. / Traebert, M. / Dumotier, B.M. / Schmelzle, T. / Soldermann, N.
External linksChemmedchem / PubMed:36988034
MethodsX-ray diffraction
Resolution1.999 Å
Structure data

PDB-8caa:
Crystal structure of TEAD4 in complex with YTP-13
Method: X-RAY DIFFRACTION / Resolution: 1.999 Å

Chemicals

ChemComp-U3F:
4-[bis(fluoranyl)methoxy]-2-[(2~{S})-5-chloranyl-6-fluoranyl-2-[[(4-oxidanylcyclohexyl)amino]methyl]-2-phenyl-3~{H}-1-benzofuran-4-yl]-3-fluoranyl-benzamide

ChemComp-U3O:
(2~{R})-2-[2-chloranyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenyl]sulfanylpropanoic acid

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Complex / Inhibitor

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