GL1X · GenesisL1 explorer

Ligand · U4N

U4N · 2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide

U4N, 2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide (C26 H25 F3 N6 O3 S, 558.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
U4N
Formula
C26 H25 F3 N6 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

U4N in 2 structures; the first of them:

  • 7BMK · ATP-Competitive Partial Antagonists-'PAIR's-Rheostatically Modulate IRE1alpha's Kinase… · U4N A1001 · binds LEU577, GLY578, VAL586, ALA597, VAL598, LYS599, GLU612, VAL613 and 17 more
  • 7BMK · ATP-competitive partial antagonists-'PAIR'S-rheostatically modulate IRE1ALPHA'S kinase… · U4N A1001 · binds LEU577, VAL586, ALA597, LYS599, GLU612, VAL613, LEU616, ILE626 and 13 more

Residues it binds most

LEU 4, ALA 4, GLU 4, ILE 4, VAL 4, ASP 4, CYS 4, LYS 4, PHE 4, SER 4 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether
  • PGE · Triethylene glycol

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