Ligand name: 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile
PDB ligand accession: O38
DrugBank: n/a
PubChem: 70799413
ChEMBL: n/a
InChI Key: OVHGMKGIRAADEL-UHFFFAOYSA-N
SMILES: Cn1cc(cn1)c2ccc(cc2OCC#N)Nc3ccc(c(n3)NC4CCCCC4)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Pyrazoles

List of PDB structures and/or AlphaFold models with target protein P33981

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5AP1	Download	Experimental	e5ap1A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5AP4	Download	Experimental	e5ap4A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3WYX	Download	Experimental	e3wyxA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot