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Ligand · 20D

20D · 2-(4-fluorophenyl)-4H-chromen-4-one

20D, 2-(4-fluorophenyl)-4H-chromen-4-one (C15 H9 F O2, 240.2 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 and the ligands…

Component
20D
Formula
C15 H9 F O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

20D in 4 structures; the first of them:

  • 4HLH · Crystal structure of Tankyrase 2 in complex with 4'-fluoroflavone · 20D A1204 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, HIS1048, ALA1049 and 9 more
  • 4KZL · Crystal structure of human tankyrase 2 in complex with 4'-fluoro flavone · 20D A1201 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, HIS1048, ALA1049 and 9 more
  • 4HLH · Crystal structure of tankyrase 2 in complex with 4'-fluoroflavone · 20D A1204 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, HIS1048, ALA1049 and 9 more
  • 4KZL · Crystal structure of human tankyrase 2 in complex with 4'-fluoro flavone · 20D A1201 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, HIS1048, ALA1049 and 9 more

Residues it binds most

PHE 8, TYR 8, ALA 8, HIS 8, SER 8, GLU 8, GLY 8, ILE 8, LYS 8, PRO 8 (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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