Ligand name: 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE
PDB ligand accession: IIA
DrugBank: n/a
PubChem: 6540265
ChEMBL: CHEMBL182746
InChI Key: MMGXOGPDBICRQF-UHFFFAOYSA-N
SMILES: CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cc(on4)c5ccc(s5)Cl
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 P00742

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2BOH	Download	Experimental	e2bohB1	cradle loop barrel	LigPlot