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Ligand · O22

O22 · 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide

O22, 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide (C15 H15 N5 O2, 297.3 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
O22
Formula
C15 H15 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

O22 in 2 structures; the first of them:

  • 3VQU · CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH… · O22 A909 · binds ILE531, GLY532, VAL539, ALA551, LYS553, ILE586, MET602, GLU603 and 9 more
  • 3VQU · Crystal structure of human MPS1 catalytic domain in complex with 4… · O22 A909 · binds ILE531, GLY532, VAL539, ALA551, LYS553, ILE586, MET602, GLU603 and 9 more

Residues it binds most

ILE 2, ALA 2, ASN 2, ASP 2, CYS 2, GLN 2, GLU 2, GLY 2, LEU 2, LYS 2 (residue and the binding sites it lines).

Found with

  • IOD · Iodide ion

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