Ligand name: N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl-1H-pyrrole-2-carboxamide
PDB ligand accession: 1HX
DrugBank: n/a
PubChem: 24857830
ChEMBL: CHEMBL259796
InChI Key: OVRPUVGBRNDNAS-VIFPVBQESA-N
SMILES: CC(c1c(cccc1Cl)F)NC(=O)c2ccc(n2C)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Carboxylic acid derivatives

List of PDB structures and/or AlphaFold models with target protein Q13546

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4ITJ	Download	Experimental	e4itjA2 e4itjB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot