Ligand name: 1-O-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-O-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-D-mannitol
PDB ligand accession: 1E4
DrugBank: n/a
PubChem: 70680601
ChEMBL: CHEMBL2316886
InChI Key: HTDBANWISVPXTR-KWINWIPXSA-N
SMILES: COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OCC(C(C(C(COc3cc(cc(c3)F)c4ccc(cn4)C(=O)O)O)O)O)O
Drug action: n/a

ClassyFire chemical classification:

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

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
4I9H	Download	Experimental	e4i9hA1 e4i9hA2 e4i9hB1 e4i9hB2 e4i9hC3 e4i9hC2 e4i9hD3 e4i9hD2 e4i9hE1 e4i9hE2 e4i9hF1 e4i9hF2 e4i9hG4 e4i9hG1 e4i9hH1 e4i9hH2	LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like Rossmann-like LDH C-terminal domain-like LDH C-terminal domain-like Rossmann-like	LigPlot