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Ligand · I5R

I5R · (2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one

I5R, (2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one (C16 H14 N4 O, 278.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
I5R
Formula
C16 H14 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

I5R in 2 structures; the first of them:

  • 4J1R · Crystal Structure of GSK3b in complex with inhibitor 15R · I5R A502 · binds ILE62, GLY63, ASN64, PHE67, VAL70, ALA83, LYS85, VAL110 and 8 more
  • 4J1R · Crystal structure of GSK3B in complex with inhibitor 15R · I5R A502 · binds ILE62, GLY63, ASN64, PHE67, VAL70, ALA83, LYS85, VAL110 and 8 more

Residues it binds most

VAL 8, ASP 8, LEU 8, ALA 8, ASN 8, CYS 8, GLY 8, ILE 8, LYS 8, PHE 8 (residue and the binding sites it lines).

Found with

  • K · Potassium ion
  • PO4 · Phosphate ion

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