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Ligand · VKM

VKM · 1-({3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one

VKM, 1-({3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one (C19 H17 F N6 O3, 396.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
VKM
Formula
C19 H17 F N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

VKM in 2 structures; the first of them:

  • 7JUP · Structure of human TRPA1 in complex with antagonist compound 21 · VKM A1101 · binds LEU707, LEU708, TRP711, GLN851, ARG852, PHE853, GLU854, GLY857 and 10 more
  • 7JUP · Structure of human TRPA1 in complex with antagonist compound 21 · VKM A1101 · binds LEU707, LEU708, TRP711, GLN851, ARG852, GLU854, ILE858, VAL861 and 8 more

Residues it binds most

LEU 8, ARG 8, GLN 8, VAL 8, ALA 8, GLU 8, HIS 8, ILE 8, LYS 8, MET 8 (residue and the binding sites it lines).

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