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Ligand · 91F

91F · 2-(4-methylsulfanylphenyl)-3H-quinazolin-4-one

91F, 2-(4-methylsulfanylphenyl)-3H-quinazolin-4-one (C15 H12 N2 O S, 268.3 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 it binds most and…

Component
91F
Formula
C15 H12 N2 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

91F in 2 structures; the first of them:

  • 4BUA · Crystal structure of human tankyrase 2 in complex with… · 91F A2163 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ARG1047, HIS1048 and 10 more
  • 4BUA · Crystal structure of human tankyrase 2 in complex with 2-(4… · 91F A2163 · 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, ARG 4, GLU 4, GLY 4, ILE 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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