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Ligand · 1M3

1M3 · N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide

1M3, N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide (C26 H35 N7 O2 S, 509.7 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site…

Component
1M3
Formula
C26 H35 N7 O2 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

1M3 in 1 structure; the first of them:

  • 5HEZ · JAK2 kinase (JH1 domain) mutant P1057A in complex with TG101209 · 1M3 A1203 · binds PHE1019, TRP1020, TYR1021, PRO1023, LEU1026, TRP1038, LEU1078, LEU1081 and 6 more

Residues it binds most

LEU 8, GLY 8, LYS 8, ASP 4, MET 8, TRP 4, TYR 8, ARG 5, VAL 4, ALA 5 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • CL · Chloride ion

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