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Ligand · KSM

KSM · N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine

KSM, N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine (C22 H23 Cl N6, 406.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
KSM
Formula
C22 H23 Cl N6
Class
ligand
Structures
2
PDB entries
1

Binding sites

KSM in 2 structures; the first of them:

  • 2ZM4 · Crystal structure of imidazo quinoxaline 1 bound to the kinase domain of human LCK… · KSM A604 · binds LEU251, VAL259, ALA271, VAL272, LYS273, GLU288, MET292, VAL301 and 10 more
  • 2ZM4 · Crystal structure of imidazo quinoxaline 1 bound to the kinase domain of human lck… · KSM A604 · binds LEU251, VAL259, ALA271, VAL272, LYS273, GLU288, MET292, VAL301 and 10 more

Residues it binds most

VAL 2, ALA 2, ASP 2, GLU 2, LEU 2, MET 2, ILE 2, LYS 2, SER 2, THR 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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