Ligand name: 2-(3-[3-({3-[(benzylamino)methyl]-4-chlorophenyl}ethynyl)-4-chlorophenyl]-1-{3-[(3S)-3-methylmorpholin-4-yl]propyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoacetamide
PDB ligand accession: BJS
DrugBank: n/a
PubChem: 59780645
ChEMBL: n/a
InChI Key: CIONECARUUEYBQ-SANMLTNESA-N
SMILES: CC1COCCN1CCCn2c3c(c(n2)c4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)CN(CC3)C(=O)C(=O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

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
5QCH	Download	Experimental	e5qchA1 e5qchB1 e5qchD1 e5qchC1 e5qchD1	Cysteine proteinases-like Cysteine proteinases-like Cysteine proteinases-like Cysteine proteinases-like Cysteine proteinases-like	LigPlot