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Ligand · VMJ

VMJ · 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

VMJ, 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (C21 H20 N4 O2 S, 392.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
VMJ
Formula
C21 H20 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

VMJ in 2 structures; the first of them:

  • 7JWV · Crystal structure of human ALDH1A1 bound to compound (R)-28 · VMJ A602 · binds GLY125, THR129, PHE171, VAL174, MET175, TRP178, THR245, TYR297 and 6 more
  • 7JWV · Crystal structure of human ALDH1A1 bound to compound (R)-28 · VMJ A602 · binds GLY125, THR129, PHE171, VAL174, MET175, TRP178, THR245, TYR297 and 6 more

Residues it binds most

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

Found with

  • YB · Ytterbium (III) ion
  • CL · Chloride ion

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