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Ligand · JQF

JQF · 3-methyl-N-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl)butanamide

JQF, 3-methyl-N-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl)butanamide (C19 H19 N3 O2, 321.4 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
JQF
Formula
C19 H19 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

JQF in 2 structures; the first of them:

  • 4BUE · Crystal structure of human tankyrase 2 in complex with… · JQF A2166 · binds PHE1030, HIS1031, GLY1032, SER1033, PHE1035, ARG1047, HIS1048, ALA1049 and 10 more
  • 4BUE · Crystal structure of human tankyrase 2 in complex with 3-methyl-N-(4… · JQF A2166 · binds PHE1030, HIS1031, GLY1032, SER1033, PHE1035, ARG1047, HIS1048, ALA1049 and 10 more

Residues it binds most

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

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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