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Ligand · C79

C79 · (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl) phenyl]acetamide

C79, (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl) phenyl]acetamide (C23 H23 F3 N6 O S, 488.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
C79
Formula
C23 H23 F3 N6 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

C79 in 2 structures; the first of them:

  • 7SFF · Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3852279B · C79 C101 · binds SER1230, HIS1507, TRP1510, LYS1535, 5CM6, DG7, PYO18, DG19 and 1 more
  • 7SFF · Human DNMT1(729-1600) bound to zebularine-containing 12MER dsdna and inhibitor GSK3852279B · C79 C101 · binds SER1230, HIS1507, TRP1510, LYS1535, 5CM6, DG7, PYO18, DG19 and 1 more

Residues it binds most

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

Found with

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

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