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Ligand · U4K

U4K · 2-isoquinolin-1-ylsulfanylethanoic acid

U4K, 2-isoquinolin-1-ylsulfanylethanoic acid (C11 H9 N O2 S, 219.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
U4K
Formula
C11 H9 N O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

U4K in 2 structures; the first of them:

  • 7BN5 · Notum fragment_1 (2-(isoquinolin-1-ylsulfanyl)acetic acid) · U4K A506 · binds GLY126, GLY127, TRP128, TYR129, VAL187, SER232, ALA233, THR236 and 7 more
  • 7BN5 · Notum FRAGMENT_1 (2-(isoquinolin-1-YLSULFANYL)ACETIC acid) · U4K A506 · binds GLY126, GLY127, TRP128, TYR129, VAL187, SER232, ALA233, THR236 and 7 more

Residues it binds most

PHE 2, ALA 2, GLY 2, VAL 2, HIS 2, ILE 2, SER 2, THR 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • GOL · Glycerol

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