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Structure paper

TitleStructure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2.
Journal, issue, pagesBioorg. Med. Chem., Vol. 28, Page 115453-115453, Year 2020
Publish dateFeb 4, 2020 (structure data deposition date)
AuthorsKuriwaki, I. / Kameda, M. / Hisamichi, H. / Kikuchi, S. / Iikubo, K. / Kawamoto, Y. / Moritomo, H. / Kondoh, Y. / Amano, Y. / Tateishi, Y. ...Kuriwaki, I. / Kameda, M. / Hisamichi, H. / Kikuchi, S. / Iikubo, K. / Kawamoto, Y. / Moritomo, H. / Kondoh, Y. / Amano, Y. / Tateishi, Y. / Echizen, Y. / Iwai, Y. / Noda, A. / Tomiyama, H. / Suzuki, T. / Hirano, M.
External linksBioorg. Med. Chem. / PubMed:32278710
MethodsX-ray diffraction
Resolution2.29 - 2.98 Å
Structure data

PDB-6lvk:
Crystal structure of FGFR2 in complex with 1,3,5-triazine derivative
Method: X-RAY DIFFRACTION / Resolution: 2.29 Å

PDB-6lvl:
Crystal structure of FGFR2 in complex with 1,3,5-triazine derivative
Method: X-RAY DIFFRACTION / Resolution: 2.98 Å

PDB-6lvm:
Crystal structure of FGFR3 in complex with pyrimidine derivative
Method: X-RAY DIFFRACTION / Resolution: 2.53 Å

Chemicals

ChemComp-EVC:
N-ethyl-2-[[4-[[4-(4-methylpiperazin-1-yl)-3-(2-morpholin-4-ylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-EVL:
N-ethyl-2-[[4-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide

ChemComp-EVR:
2-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]pyrimidin-4-yl]amino]-N-ethyl-benzenesulfonamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / protein kinase / SIGNALING PROTEIN

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