Ligand name: trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1H-indazol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
PDB ligand accession: 1BK
DrugBank: n/a
PubChem: n/a
ChEMBL: CHEMBL2390974
InChI Key: QTUUSRHXDAHSAU-WKILWMFISA-N
SMILES: CS(=O)(=O)CCCOc1cccc2c1cnn2c3ccnc(n3)NC4CCC(CC4)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzopyrazoles
      • Subclass: Indazoles

List of PDB structures and/or AlphaFold models with target protein A1L4K2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4HYU	Download	Experimental	e4hyuA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot