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Ligand · JC9

JC9 · (2~{S})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one

JC9, (2~{S})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one (C13 H16 Cl N O, 237.7 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
JC9
Formula
C13 H16 Cl N O
Class
ligand
Structures
6
PDB entries
3

Binding sites

JC9 in 6 structures; the first of them:

  • 7EU7 · Structure of the human GluN1-GluN2A NMDA receptor in complex with S-ketamine, glycine and… · JC9 D905 · binds LEU642, LEU642, THR646
  • 7EU8 · Structure of the human GluN1-GluN2B NMDA receptor in complex with S-ketamine,glycine and… · JC9 B903 · binds VAL644, LEU643, ALA644, THR647, ASN616, VAL644, ALA645, ASN615 and 1 more
  • 7SAC · S-(+)-ketamine bound GluN1a-GluN2B NMDA receptors at 3.69 Angstrom resolution · JC9 B903 · binds ASN616, VAL644, THR648, ASN615, LEU643, THR647, THR648, ASN615 and 3 more
  • 7EU7 · Structure of the human GLUN1-GLUN2A NMDA receptor in complex with S- ketamine, glycine… · JC9 D905 · binds LEU642, LEU642, THR646
  • 7EU8 · Structure of the human GLUN1-GLUN2B NMDA receptor in complex with S- KETAMINE,GLYCINE and… · JC9 B903 · binds VAL644, LEU643, THR647, VAL644, THR647
  • 7SAC · S-(+)-ketamine bound GLUN1A-GLUN2B NMDA receptors at 3.69 ångström resolution · JC9 B903 · binds VAL644, ASN615, LEU643, THR647, VAL640, THR647

Residues it binds most

THR 6, LEU 6, VAL 4, ASN 3, ALA 1 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • GLU · Glutamic acid
  • GLY · Glycine

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