Ligand name: 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
PDB ligand accession: LTJ
DrugBank: n/a
PubChem: 138753315
ChEMBL: n/a
InChI Key: BCSXUDNOTSZTNK-BPJJOFIESA-N
SMILES: CC=CC(=O)NC1CCCN(C1)c2c(cc(c3c2c(c([nH]3)C)C)C(=O)N)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indolecarboxylic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein Q06187

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6O8I	Download	Experimental	e6o8iA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot