GL1X · GenesisL1 explorer

Ligand · 2OL

2OL · 1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1H-benzimidazol-6-yl}ethynyl)cyclohexanol

2OL, 1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1H-benzimidazol-6-yl}ethynyl)cyclohexanol (C22 H26 N6 O2, 406.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
2OL
Formula
C22 H26 N6 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

2OL in 4 structures; the first of them:

  • 4O0T · Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors · 2OL A601 · binds ILE276, GLY277, SER281, VAL284, ALA297, LYS299, GLU315, MET319 and 14 more
  • 4O0V · Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors · 2OL A601 · binds ILE327, GLY328, VAL335, ALA348, LYS350, GLU366, MET370, VAL379 and 13 more
  • 4O0T · Back pocket flexibility provides group-II pak selectivity for type 1 kinase inhibitors · 2OL A601 · binds ILE276, GLY277, SER281, VAL284, ALA297, LYS299, GLU315, MET319 and 14 more
  • 4O0V · Back pocket flexibility provides group-II pak selectivity for type 1 kinase inhibitors · 2OL A601 · binds ILE327, GLY328, VAL335, ALA348, LYS350, GLU366, MET370, VAL379 and 13 more

Residues it binds most

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

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