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Ligand · 3SJ

3SJ · 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one

3SJ, 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one (C26 H22 N4 O2, 422.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
3SJ
Formula
C26 H22 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3SJ in 2 structures; the first of them:

  • 4WN1 · Crystal structure of PDE10A in complex with 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phen… · 3SJ A803 · binds TYR524, LEU635, ASP674, LEU675, SER677, VAL678, TYR693, PHE696 and 8 more
  • 4WN1 · Crystal structure of PDE10A in complex with 1-methyl-5-(1-methyl-3… · 3SJ A803 · binds TYR524, LEU635, ASP674, LEU675, SER677, VAL678, TYR693, PHE696 and 8 more

Residues it binds most

LEU 2, PHE 2, TYR 2, VAL 2, ASP 2, GLN 2, GLU 2, GLY 2, LYS 2, MET 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion

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