Ligand name: N-benzyl-1-{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]-2-methoxyphenyl}methanamine
PDB ligand accession: BJV
DrugBank: n/a
PubChem: 69322707
ChEMBL: n/a
InChI Key: XDJYRFZPTINNSF-UHFFFAOYSA-N
SMILES: COc1ccc(cc1CNCc2ccccc2)C#Cc3cc(ccc3Cl)c4c5c(n(n4)CCCN6CCOCC6)CCN(C5)S(=O)(=O)C
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
5QCI	Download	Experimental	e5qciA1	Cysteine proteinases-like	LigPlot