Ligand name: (2~{R})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid
PDB ligand accession: 93W
DrugBank: n/a
PubChem: 73292717
ChEMBL: CHEMBL2419267
InChI Key: PVDFWPDMZYPBMH-MRXNPFEDSA-N
SMILES: c1ccc2c(c1)c(c(nc2Cl)C(=O)NC(Cc3c[nH]c4c3cccc4)C(=O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein Q8GKX2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5N58	Download	Experimental	e5n58A1 e5n58B1	Metallo-hydrolase/oxidoreductase Metallo-hydrolase/oxidoreductase	LigPlot
5NAI	Download	Experimental	e5naiA1	Metallo-hydrolase/oxidoreductase	LigPlot