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Ligand · 3WN

3WN · 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8H)-one

3WN, 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8H)-one (C13 H11 N5 O, 253.3 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 residues it binds…

Component
3WN
Formula
C13 H11 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

3WN in 2 structures; the first of them:

  • 4X2J · Selection of fragments for kinase inhibitor design: decoration is key · 3WN A601 · binds ILE211, VAL219, ALA230, LYS232, GLU245, TYR249, LEU260, LEU278 and 9 more
  • 4X2J · Selection of fragments for kinase inhibitor design: decoration is key · 3WN A601 · binds ILE211, VAL219, ALA230, LYS232, GLU245, TYR249, LEU260, LEU278 and 9 more

Residues it binds most

LEU 2, ALA 2, ASP 2, TYR 2, GLU 2, GLY 2, HIS 2, ILE 2, LYS 2, SER 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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