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Ligand · IY5

IY5 · 8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one

IY5, 8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one (C15 H9 F3 N2 O2, 306.2 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…

Component
IY5
Formula
C15 H9 F3 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

IY5 in 2 structures; the first of them:

  • 4UI8 · Crystal structure of human tankyrase 2 in complex with TA-55 · IY5 A2115 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ARG1047, HIS1048 and 10 more
  • 4UI8 · Crystal structure of human tankyrase 2 in complex with ta-55 · IY5 A2115 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ARG1047, HIS1048 and 10 more

Residues it binds most

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

Found with

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

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