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Ligand · X52

X52 · N-(4-{[(3,5-dicyano-4-ethyl-6-{methyl[2-(methylamino) ethyl]amino}pyridin-2-yl)sulfanyl]methyl}phenyl)-N-methylmethanesulfonamide

X52, N-(4-{[(3,5-dicyano-4-ethyl-6-{methyl[2-(methylamino) ethyl]amino}pyridin-2-yl)sulfanyl]methyl}phenyl)-N-methylmethanesulfonamide (C22 H28 N6 O2 S2, 472.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
X52
Formula
C22 H28 N6 O2 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

X52 in 2 structures; the first of them:

  • 6X9J · Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830052 · X52 D101 · binds CYS1226, GLN1227, SER1230, PHE1274, HIS1507, TRP1510, LYS1535, 5CM6 and 4 more
  • 6X9J · Human DNMT1(729-1600) bound to zebularine-containing 12MER dsdna and inhibitor GSK3830052 · X52 D101 · binds CYS1226, GLN1227, SER1230, PHE1274, HIS1507, LYS1535, 5CM6, DG7 and 3 more

Residues it binds most

DG 2, 5CM 2, CYS 2, GLN 2, HIS 2, LYS 2, PHE 2, PYO 2, SER 2, TRP 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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