Ligand name: N-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine
PDB ligand accession: BJD
DrugBank: n/a
PubChem: 59780493
ChEMBL: n/a
InChI Key: IZBBHSKSQLPYHT-UHFFFAOYSA-N
SMILES: CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)C1
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
5QCE	Download	Experimental	e5qceA1 e5qceB1	Cysteine proteinases-like Cysteine proteinases-like	LigPlot
5QCF	Download	Experimental	e5qcfA1	Cysteine proteinases-like	LigPlot