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Ligand · 9D5

9D5 · 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2,3-dihydro-1~{H}-quinazolin-4-one

9D5, 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2,3-dihydro-1~{H}-quinazolin-4-one (C17 H19 N3 O2, 297.4 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…

Component
9D5
Formula
C17 H19 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

9D5 in 2 structures; the first of them:

  • 5NXE · Crystal structure of TNKS2 in complex with 2-{4-[(2-hydroxyethyl)(methyl)amino]phenyl}-1,2… · 9D5 A1204 · binds HIS1031, GLY1032, SER1033, PHE1035, ARG1047, HIS1048, ALA1049, TYR1050 and 9 more
  • 5NXE · Crystal structure of TNKS2 in complex with 2-{4-[(2-hydroxyethyl)… · 9D5 A1204 · binds HIS1031, GLY1032, SER1033, PHE1035, ARG1047, HIS1048, ALA1049, TYR1050 and 9 more

Residues it binds most

TYR 4, ALA 4, PHE 4, SER 4, HIS 4, ILE 4, GLU 4, GLY 4, LYS 4, ARG 2 (residue and the binding sites it lines).

Found with

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

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