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Ligand · VMA

VMA · 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl) ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

VMA, 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl) ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (C19 H17 N5 O S, 363.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
VMA
Formula
C19 H17 N5 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

VMA in 2 structures; the first of them:

  • 7JWU · Crystal structure of human ALDH1A1 bound to compound (R)-28 · VMA A606 · binds SER121, GLY125, THR129, PHE171, MET175, TRP178, TYR297, CYS302 and 6 more
  • 7JWU · Crystal structure of human ALDH1A1 bound to compound (R)-28 · VMA A606 · binds SER121, GLY125, THR129, PHE171, MET175, TRP178, TYR297, CYS302 and 6 more

Residues it binds most

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

Found with

  • NAD · Nicotinamide-adenine-dinucleotide
  • YB · Ytterbium (III) ion
  • CL · Chloride ion

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