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Ligand · CQQ

CQQ · 4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide

CQQ, 4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide (C28 H29 N7 O2, 495.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
CQQ
Formula
C28 H29 N7 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

CQQ in 2 structures; the first of them:

  • 3V6R · Discovery of potent and selective covalent inhibitors of JNK · CQQ A403 · binds ILE70, GLY71, VAL78, ALA91, LYS93, ILE124, MET146, GLU147 and 14 more
  • 3V6R · Discovery of potent and selective covalent inhibitors of jnk · CQQ A403 · binds ILE70, GLY71, VAL78, ALA91, LYS93, ILE124, MET146, GLU147 and 14 more

Residues it binds most

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

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