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Ligand · 96I

96I · (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide

96I, (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide (C22 H25 N7 O, 403.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues…

Component
96I
Formula
C22 H25 N7 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

96I in 1 structure; the first of them:

  • 7SFE · Human DNMT1(729-1600) bound to zebularine-containing 12MER dsdna and inhibitor GSK3830334A · 96I D101 · binds HIS1507, TRP1510, LYS1535, 5CM6, DG7, PYO18, DG19, DG20

Residues it binds most

DG 1, 5CM 1, HIS 1, LYS 1, PYO 1, TRP 1 (residue and the binding sites it lines).

Found with

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

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