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

ClassyFire chemical classification:

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

List of proteins that are targets for BJS

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P25774_BJS	P25774	n/a