Ligand name: 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid
PDB ligand accession: 1E6
DrugBank: n/a
PubChem: 70680602
ChEMBL: n/a
InChI Key: JUOFKXYNMCCWAA-NSHDSACASA-N
SMILES: COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OCC(CO)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Pyridinecarboxylic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein P13491

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4I9N	Download	Experimental	e4i9nA4 e4i9nB4 e4i9nC2 e4i9nD2 e4i9nE2 e4i9nF2 e4i9nG2 e4i9nH2	Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot