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Ligand · 29F

29F · 2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one

29F, 2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one (C18 H18 N2 O, 278.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
29F
Formula
C18 H18 N2 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

29F in 4 structures; the first of them:

  • 4BUD · Crystal structure of human tankyrase 2 in complex with 2-(4-tert… · 29F A2165 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ARG1047, HIS1048 and 10 more
  • 5AKU · Crystal structure of TNKS2 in complex with 2-(4-tert-butylphenyl)-1,2… · 29F A2164 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ARG1047, HIS1048 and 10 more
  • 4BUD · Crystal structure of human tankyrase 2 in complex with 2-(4-tert… · 29F A2165 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ARG1047, HIS1048 and 10 more
  • 5AKU · Crystal structure of TNKS2 in complex with 2-(4-tert… · 29F A2164 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ARG1047, HIS1048 and 10 more

Residues it binds most

PHE 8, TYR 8, ALA 8, HIS 8, SER 8, ARG 8, GLU 8, GLY 8, ILE 8, LYS 8 (residue and the binding sites it lines).

Found with

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

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