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Ligand · V3V

V3V · 2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid

V3V, 2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid (C25 H18 Cl F N6 O4, 520.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
V3V
Formula
C25 H18 Cl F N6 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

V3V in 2 structures; the first of them:

  • 7S4C · Crystal Structure of Inhibitor-bound Galactokinase · V3V A402 · binds THR61, THR77, SER79, GLY81, ALA82, ASP83, ARG105, TRP106 and 11 more
  • 7S4C · Crystal structure of inhibitor-bound galactokinase · V3V A402 · binds THR61, THR77, SER79, GLY81, ALA82, ASP83, ARG105, TRP106 and 11 more

Residues it binds most

SER 6, LEU 6, ALA 6, VAL 6, GLY 4, THR 4, ASP 6, ARG 4, TRP 4, TYR 4 (residue and the binding sites it lines).

Found with

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

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