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Ligand · LHL

LHL · 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one

LHL, 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one (C25 H28 Cl2 N6 O2, 515.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries).…

Component
LHL
Formula
C25 H28 Cl2 N6 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

LHL in 4 structures; the first of them:

  • 3KMM · Structure of human LCK kinase with a small molecule inhibitor · LHL A1 · binds LEU251, VAL259, ALA271, VAL272, LYS273, GLU288, MET292, VAL301 and 10 more
  • 3PJ1 · Crystal structure of BTK kinase domain complexed with… · LHL A1 · binds GLU407, LEU408, VAL416, ALA428, ILE429, LYS430, GLU445, MET449 and 12 more
  • 3KMM · Structure of human lck kinase with a small molecule inhibitor · LHL A1 · binds LEU251, VAL259, ALA271, VAL272, LYS273, GLU288, MET292, VAL301 and 10 more
  • 3PJ1 · Crystal structure of btk kinase domain complexed with 3-(2,6-dichloro… · LHL A1 · binds GLU407, LEU408, VAL416, ALA428, ILE429, LYS430, GLU445, MET449 and 12 more

Residues it binds most

GLU 4, LEU 6, VAL 4, ALA 4, MET 4, TYR 6, ILE 4, ASP 4, GLY 4, LYS 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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