Ligand name: 3-(5-amino-6-{[(1R)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid
PDB ligand accession: 22Y
DrugBank: n/a
PubChem: 71677802
ChEMBL: CHEMBL2430735
InChI Key: NKUNTWSMUIPKSU-LLVKDONJSA-N
SMILES: CC(c1ccccc1)Nc2c(ncc(n2)c3cc(ccc3Cl)C(=O)O)N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P00338

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4M49	Download	Experimental	e4m49A2 e4m49A3 e4m49C2 e4m49C1 e4m49D2 e4m49D3	Rossmann-like LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like	LigPlot