Ligand name: methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate
PDB ligand accession: 551
DrugBank: n/a
PubChem: 122391189
ChEMBL: CHEMBL4117028
InChI Key: MTDVIYKGVPWNHL-UHFFFAOYSA-N
SMILES: COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P68400

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5CX9	Download	Experimental	e5cx9A1 e5cx9B1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5CU2	Download	Experimental	e5cu2A1 e5cu2B1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot