Ligand name: 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol
PDB ligand accession: 599
DrugBank: n/a
PubChem: 44224000
ChEMBL: CHEMBL575242
InChI Key: IWTCFPKHJADUJG-UHFFFAOYSA-N
SMILES: c1cc(ccc1C#Cc2cc(ccc2Cl)c3c4c(n(n3)CCCN5CCOCC5)CCN(C4)C(=O)CO)Cl
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 P25774

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3IEJ	Download	Experimental	e3iejA1 e3iejB1	Cysteine proteinases-like Cysteine proteinases-like	LigPlot