Ligand name: 1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea
PDB ligand accession: O54
DrugBank: n/a
PubChem: 67448852
ChEMBL: CHEMBL4086418
InChI Key: ITGDBTWKMCUOIO-UHFFFAOYSA-N
SMILES: CCNC(=O)Nc1cc2c(ccc(c2cn1)C)c3ccnc(c3)C
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 P0AES7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5MMN	Download	Experimental	e5mmnA1	ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like	LigPlot