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Ligand · MS9

MS9 · methyl 2-amino-4-chlorobenzoate

MS9, methyl 2-amino-4-chlorobenzoate (C8 H8 Cl N O2, 185.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
MS9
Formula
C8 H8 Cl N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

MS9 in 2 structures; the first of them:

  • 3MS9 · ABL kinase in complex with imatinib and a fragment (FRAG1) in the myristate pocket · MS9 A516 · binds ALA337, LEU340, LEU341, ALA344, LEU429, ILE432, ALA433, GLY463 and 3 more
  • 3MS9 · Abl kinase in complex with imatinib and a fragment (FRAG1) in the myristate pocket · MS9 A516 · binds ALA337, LEU340, LEU341, ALA344, LEU429, ILE432, ALA433, GLY463 and 3 more

Residues it binds most

ALA 4, LEU 4, VAL 4, CYS 4, GLY 4, ILE 4, PRO 4 (residue and the binding sites it lines).

Found with

  • STI · 4-(4-methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
  • CL · Chloride ion

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