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Ligand · 3UJ

3UJ · 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide

3UJ, 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide (C36 H42 N6 O, 574.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
3UJ
Formula
C36 H42 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

3UJ in 2 structures; the first of them:

  • 4WUY · Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a… · 3UJ A501 · binds THR105, LEU108, SER136, LEU141, LYS145, LEU148, ILE149, ALA177 and 13 more
  • 4WUY · Crystal structure of protein lysine methyltransferase SMYD2 in complex with lly-507, a… · 3UJ A501 · binds THR105, LEU108, SER136, LEU141, LYS145, LEU148, ILE149, ALA177 and 13 more

Residues it binds most

LEU 2, SER 2, ALA 2, ASN 2, PHE 2, THR 2, TYR 2, CYS 2, GLY 2, ILE 2 (residue and the binding sites it lines).

Found with

  • SAH · S-adenosyl-L-homocysteine
  • ZN · Zinc ion
  • GOL · Glycerol

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