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Ligand · 4QI

4QI · (4R)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1H-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one

4QI, (4R)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1H-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one (C18 H15 Cl N6 O2, 382.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
4QI
Formula
C18 H15 Cl N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4QI in 2 structures; the first of them:

  • 7S49 · Crystal Structure of Inhibitor-bound Galactokinase · 4QI A402 · binds THR61, THR77, SER79, GLY81, ALA82, ASP83, ARG105, TRP106 and 9 more
  • 7S49 · Crystal structure of inhibitor-bound galactokinase · 4QI A402 · binds THR77, SER79, GLY81, ASP83, ARG105, TRP106, TYR109, VAL129 and 6 more

Residues it binds most

SER 4, ARG 4, LEU 4, GLY 4, THR 4, ASP 4, TRP 4, TYR 4, VAL 4, ALA 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • GLA · alpha-D-galactopyranose
  • PO4 · Phosphate ion

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