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Ligand · 553

553 · (7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one

553, (7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one (C13 H14 F N5 O, 275.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
553
Formula
C13 H14 F N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

553 in 2 structures; the first of them:

  • 3DU8 · Crystal structure of GSK-3 beta in complex with NMS-869553A · 553 A553 · binds ILE62, PHE67, VAL70, ALA83, LYS85, GLU97, VAL110, LEU132 and 8 more
  • 3DU8 · Crystal structure of gsk-3 beta in complex with nms-869553A · 553 A553 · binds ILE62, PHE67, VAL70, ALA83, LYS85, GLU97, VAL110, LEU132 and 8 more

Residues it binds most

VAL 4, ASP 4, LEU 4, ALA 4, ASN 4, CYS 4, GLN 4, ILE 4, LYS 4, PHE 4 (residue and the binding sites it lines).

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