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Ligand · J9R

J9R · 4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

J9R, 4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (C20 H20 F3 N5 O2, 419.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with…

Component
J9R
Formula
C20 H20 F3 N5 O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

J9R in 3 structures; the first of them:

  • 7EPE · Crystal structure of mGlu2 bound to NAM563 · J9R A1202 · binds LEU639, GLY640, PHE643, ASP725, ALA726, LEU729, SER731, LEU732 and 11 more
  • 8JD0 · Cryo-EM structure of mGlu2-mGlu3 heterodimer in presence of NAM563 · J9R 21102 · binds LEU639, GLY640, PHE643, ASP725, MET728, SER731, LEU732, ASN735 and 5 more
  • 7EPE · Crystal structure of MGLU2 bound to NAM563 · J9R A1202 · binds LEU639, GLY640, PHE643, ASP725, ALA726, LEU729, SER731, LEU732 and 11 more

Residues it binds most

LEU 3, SER 3, PHE 3, MET 3, ASN 3, ASP 3, GLY 3, ILE 3, TRP 3, ALA 2 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • CLR · Cholesterol
  • GLU · Glutamic acid
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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