Ligand name: (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide
PDB ligand accession: 1LE
DrugBank: n/a
PubChem: 78225314
ChEMBL: n/a
InChI Key: ARQUOOKSSVJHHS-INIZCTEOSA-N
SMILES: CC(C)(CO)NC(=O)C(Cc1ccc2c(c1)c(n[nH]2)c3cc(c(c(c3)OC)OC)OC)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 P51812

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4JG8	Download	Experimental	e4jg8A2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot