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Ligand · 92R

92R · 3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2H)-one

92R, 3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2H)-one (C19 H20 N2 O2, 308.4 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…

Component
92R
Formula
C19 H20 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

92R in 2 structures; the first of them:

  • 4UW1 · X-ray crystal structure of human TNKS in complex with a small molecule inhibitor · 92R A3000 · binds PHE1183, HIS1184, GLY1185, SER1186, PRO1187, TYR1203, TYR1213, PHE1214 and 6 more
  • 4UW1 · X-ray crystal structure of human tnks in complex with a small molecule inhibitor · 92R A3000 · binds PHE1183, HIS1184, GLY1185, SER1186, PRO1187, TYR1203, TYR1213, PHE1214 and 6 more

Residues it binds most

TYR 16, PHE 16, SER 16, ALA 16, HIS 16, GLY 16, GLU 16, ILE 14, LYS 14, PRO 4 (residue and the binding sites it lines).

Found with

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

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