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Ligand · NYJ

NYJ · 4,5-dimethyl-3-phenylisoquinolin-1(2H)-one

NYJ, 4,5-dimethyl-3-phenylisoquinolin-1(2H)-one (C17 H15 N O, 249.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
NYJ
Formula
C17 H15 N O
Class
ligand
Structures
2
PDB entries
1

Binding sites

NYJ in 2 structures; the first of them:

  • 4UVW · Crystal structure of human tankyrase 2 in complex with 4,5-dimethyl-3… · NYJ A2165 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, TYR1050, TYR1060, PHE1061 and 6 more
  • 4UVW · Crystal structure of human tankyrase 2 in complex with 4,5-dimethyl-3… · NYJ A2165 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, TYR1050, TYR1060, PHE1061 and 6 more

Residues it binds most

TYR 4, PHE 4, SER 4, ALA 4, GLU 4, GLY 4, HIS 4, ILE 4, LYS 4, PRO 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion

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