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Ligand · MFR

MFR · 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

MFR, 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (C12 H11 N5 O, 241.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
MFR
Formula
C12 H11 N5 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

MFR in 4 structures; the first of them:

  • 3BHT · Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 3 · MFR A299 · binds ILE10, GLY11, TYR15, VAL18, ALA31, LYS33, GLU51, LEU55 and 9 more
  • 7A5B · Structure of DYRK1A in complex with complex 10 · MFR A501 · binds ILE165, GLY166, PHE170, VAL173, ALA186, LYS188, GLU203, VAL222 and 8 more
  • 3BHT · Structure of phosphorylated THR160 CDK2/CYCLIN a in complex with the inhibitor meriolin 3 · MFR A299 · binds ILE10, GLY11, TYR15, VAL18, ALA31, LYS33, GLU51, LEU55 and 9 more
  • 7A5B · Structure of DYRK1A in complex with complex 10 · MFR A501 · binds ILE165, GLY166, PHE170, VAL173, ALA186, LYS188, GLU203, VAL222 and 8 more

Residues it binds most

LEU 8, VAL 8, PHE 8, GLU 8, ALA 8, ASP 8, ILE 8, LYS 8, GLY 4, MET 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • SGM · Monothioglycerol

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