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Ligand · XOE

XOE · 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide

XOE, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide (C27 H24 F4 N6 O3 S, 588.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1…

Component
XOE
Formula
C27 H24 F4 N6 O3 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

XOE in 1 structure; the first of them:

  • 8UVL · Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site · XOE A1009 · binds LEU577, GLY578, HIS579, VAL586, ALA597, VAL598, LYS599, ALA609 and 19 more

Residues it binds most

ALA 1, LEU 1, GLU 1, ILE 1, VAL 1, GLY 1, HIS 1, ASP 1, CYS 1, LYS 1 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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