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Ligand · AJ8

AJ8 · 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid

AJ8, 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid (C17 H12 Cl N O3, 313.7 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
AJ8
Formula
C17 H12 Cl N O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

AJ8 in 2 structures; the first of them:

  • 4J3M · Tankyrase 2 in complex with 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic… · AJ8 A1204 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, HIS1048, ALA1049 and 7 more
  • 4J3M · Tankyrase 2 in complex with 3-chloro-4-(4-methyl-2-oxo-1,2- dihydroquinolin-7-YL)BENZOIC… · AJ8 A1204 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, HIS1048, ALA1049 and 7 more

Residues it binds most

TYR 4, GLY 4, HIS 4, PHE 4, SER 4, GLU 4, ILE 4, PRO 4, ALA 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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