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Ligand · 90F

90F · ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide

90F, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide (C32 H36 Cl2 F N7 O3, 656.6 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
90F
Formula
C32 H36 Cl2 F N7 O3
Class
ligand
Structures
4
PDB entries
3

Binding sites

90F in 4 structures; the first of them:

  • 7WCW · Crystal structure of FGFR4(V550L) kinase domain with 7v · 90F A801 · binds LEU473, GLY474, VAL481, ARG483, ALA501, GLU551, CYS552, ALA553 and 5 more
  • 7WCT · Crystal structure of FGFR4 kinase domain with 7V · 90F A801 · binds LEU473, GLY474, VAL481, ARG483, ALA501, GLU551, CYS552, ALA553 and 5 more
  • 7WCW · Crystal structure of FGFR4(V550L) kinase domain with 7V · 90F A801 · binds LEU473, GLY474, VAL481, ARG483, ALA501, GLU551, CYS552, ALA553 and 5 more
  • 7WCX · Crystal structure of FGFR4(V550M) kinase domain with 7V · 90F A801 · binds LEU473, GLY474, VAL481, ARG483, ALA501, MET550, GLU551, CYS552 and 6 more

Residues it binds most

ALA 4, ARG 4, GLY 4, LEU 4, ASN 4, ASP 4, CYS 4, GLU 4, VAL 4, MET 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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