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Ligand · VLY

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

VLY, 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (C20 H18 N4 O S, 362.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
VLY
Formula
C20 H18 N4 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

VLY in 2 structures; the first of them:

  • 7JWS · Crystal structure of human ALDH1A1 bound to compound (R)-28 · VLY A602 · binds SER121, ASP122, GLY125, THR129, PHE171, VAL174, MET175, TRP178 and 8 more
  • 7JWS · Crystal structure of human ALDH1A1 bound to compound (R)-28 · VLY A602 · binds SER121, GLY125, THR129, PHE171, VAL174, MET175, TRP178, TYR297 and 6 more

Residues it binds most

GLY 2, PHE 2, SER 2, VAL 2, CYS 2, ILE 2, MET 2, THR 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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