Ligand name: Esketamine
PDB ligand accession: JC9
DrugBank: DB11823
InChI Key: YQEZLKZALYSWHR-ZDUSSCGKSA-N
SMILES: CNC1(CCCCC1=O)c2ccccc2Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Halobenzenes

List of PDB structures and/or AlphaFold models with target protein Q16620

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
Q16620	Download	Predicted	Q16620_F1_nD3 Q16620_F1_nD5 Q16620_F1_nD2	Immunoglobulin-like beta-sandwich Protein kinase/SAICAR synthase/ATP-grasp Immunoglobulin-like beta-sandwich
1HCF		Predicted	e1hcfX1 e1hcfY1
1WWB		Predicted	e1wwbX1
4ASZ		Predicted	e4aszA1
4AT3		Predicted	e4at3A1
4AT4		Predicted	e4at4A1
4AT5		Predicted	e4at5A1
5MO9		Predicted	e5mo9X1