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Ligand · 8XB

8XB · (6~{R})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one

8XB, (6~{R})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one (C20 H25 N7 O2, 395.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
8XB
Formula
C20 H25 N7 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

8XB in 2 structures; the first of them:

  • 5NHL · Human Erk2 with an Erk1/2 inhibitor · 8XB A402 · binds ILE31, GLU33, GLY34, GLY37, MET38, VAL39, ALA52, LYS54 and 14 more
  • 5NHL · Human ERK2 with an ERK1/2 inhibitor · 8XB A402 · binds ILE31, GLY34, GLY37, MET38, VAL39, ALA52, LYS54, ILE84 and 12 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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