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Ligand · 3J1

3J1 · 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one

3J1, 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one (C19 H16 N4 O2, 332.4 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
3J1
Formula
C19 H16 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3J1 in 2 structures; the first of them:

  • 4W5S · Tankyrase in complex with compound · 3J1 A1402 · binds PHE1183, HIS1184, GLY1185, SER1186, PRO1187, PHE1188, HIS1201, ALA1202 and 9 more
  • 4W5S · Tankyrase in complex with compound · 3J1 A1402 · binds PHE1183, HIS1184, GLY1185, SER1186, PRO1187, PHE1188, HIS1201, ALA1202 and 9 more

Residues it binds most

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

Found with

  • ZN · Zinc ion
  • GOL · Glycerol

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