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Ligand · 67A

67A · 3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one

67A, 3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one (C20 H13 F3 N4 O2, 398.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
67A
Formula
C20 H13 F3 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

67A in 2 structures; the first of them:

  • 5I2R · CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH… · 67A A803 · binds TYR524, HIS525, LEU635, PHE639, ASP674, LEU675, SER677, VAL678 and 7 more
  • 5I2R · Human PDE10A in complex with 3-(2-phenylpyrazol-3-yl)-1-[3… · 67A A803 · binds TYR524, HIS525, LEU635, PHE639, ASP674, LEU675, SER677, VAL678 and 7 more

Residues it binds most

PHE 8, LEU 8, TYR 8, VAL 8, ASP 8, GLN 8, HIS 8, ILE 8, MET 8, SER 8 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion

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