Ligand name: 1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea
PDB ligand accession: LXL
DrugBank: n/a
PubChem: 11351021
ChEMBL: CHEMBL552212
InChI Key: MTJHLONVHHPNSI-IBGZPJMESA-N
SMILES: CCCC(c1cccnc1)Nc2c(cnc(n2)c3ccc(c(c3)OC)NC(=O)NCC)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: N-phenylureas

List of PDB structures and/or AlphaFold models with target protein Q2XVP4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5CA0	Download	Experimental	e5ca0A1 e5ca0A2 e5ca0B1 e5ca0B2 e5ca0C1 e5ca0D1 e5ca0D2	Rossmann-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like	LigPlot