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Ligand · 3KB

3KB · 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one

3KB, 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one (C21 H15 F3 N4 O2, 412.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
3KB
Formula
C21 H15 F3 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3KB in 2 structures; the first of them:

  • 3WYL · Crystal structure of the catalytic domain of PDE10A complexed with… · 3KB A1003 · binds TYR514, HIS515, LEU625, ASP664, LEU665, SER667, VAL668, ILE682 and 6 more
  • 3WYL · Crystal structure of the catalytic domain of PDE10A complexed with 5… · 3KB A1003 · binds TYR514, HIS515, LEU625, ASP664, LEU665, SER667, VAL668, ILE682 and 6 more

Residues it binds most

LEU 4, PHE 4, TYR 4, SER 4, ASP 4, GLN 4, GLY 4, HIS 4, ILE 4, MET 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion

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