Ligand name: 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE
PDB ligand accession: CPB
DrugBank: DB03496
PubChem: 5287969
ChEMBL: CHEMBL428690
InChI Key: BIIVYFLTOXDAOV-YVEFUNNKSA-N
SMILES: CN1CCC(C(C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Flavonoids
      • Subclass: Flavones

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P50750

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3BLR	Download	Experimental	e3blrA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot